DIISOPROPANOLNITROSAMINE structure, CAS 53609-64-6

DIISOPROPANOLNITROSAMINE

CAS Number53609-64-6

SynonymsDHPN; 1,1'-(Nitrosoimino)di(2-propanol); DIPN; N,N-bis(2-hydroxypropyl)nitrosamine; Diisopropanolnitrosamine; 1,1'-(nitrosoimino)dipropan-2-ol; N-Nitrosodiisopropanolamine; N-Bis(2-hydroxypropyl)nitrosamine

Molecular FormulaC6H14N2O3

Molecular Weight162.187

Purity98%

Density1.2±0.1 g/cm3

Boiling Point352.4±27.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-1169787 Purity: 98%
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Chemical & Physical Properties
CAS Number53609-64-6
Catalog No.2A-1169787
Chinese NameN-亚硝基双(2-羟丙基)胺
SynonymsDHPN; 1,1'-(Nitrosoimino)di(2-propanol); DIPN; N,N-bis(2-hydroxypropyl)nitrosamine; Diisopropanolnitrosamine; 1,1'-(nitrosoimino)dipropan-2-ol; N-Nitrosodiisopropanolamine; N-Bis(2-hydroxypropyl)nitrosamine
Molecular FormulaC6H14N2O3
Molecular Weight162.187
Purity98
Density1.2±0.1 g/cm3
Boiling Point352.4±27.0 °C at 760 mmHg
Storage Condition2-8°C
ApplicationN-Bis(2-hydroxypropyl)nitrosamine is a carcinogenic agent.
HTC2928000090
PubChem ID5112040
SMILESCC(O)CN(CC(C)O)N=O
InChIInChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChI KeyMNIGYIKCFSPQRJ-UHFFFAOYSA-N
Use ofN-Bis(2-hydroxypropyl)nitrosamine is an agent with carcinogenic activity. Properties Name N,N-bis(2-hydroxypropyl)nitrous amide Synonym More Synonyms N-Bis(2-hydroxypropyl)nitrosamine Biological Activity Description N-Bis(2-hydroxypropyl)nitrosamine is an agent with carcinogenic activity. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cancer In Vitro N-Bis(2-hydroxypropyl)nitrosamine is an agent with carcinogenic activity[1]. References [1]. Konishi Y, et al. Effect of dose on the carcinogenic activity of orally administered N-bis(2-hydroxypropyl)nitrosamine in rats. Gan. 1978 Aug;69(4):573-7. [2]. Zhang J, et al. Low dose of Bisphenol A enhance the susceptibility of thyroid carcinoma stimulated by DHPN and iodine excess in F344 rats. Oncotarget. 2017 Jul 22;8(41):69874-69887. Chemical & Physical Properties Molecular Formula C6H14N2O3 Exact Mass 162.100449 PSA 73.13000 LogP -1.20 Index of Refraction 1.497 InChIKey MNIGYIKCFSPQRJ-UHFFFAOYSA-N SMILES CC(O)CN(CC(C)O)N=O Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Dipropylamine, 2,2'-dihydroxy-N-nitroso- CAS REGISTRY NUMBER : 53609-64-6 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C6-H14-N2-O3 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Lungs, Thorax, or Respiration - other changes Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from large intestine TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Lungs, Thorax, or Respiration - other changes Liver - hepatitis (hepatocellular necrosis), zonal Blood - hemorrhage TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 9333 ug/kg/24W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Endocrine - thyroid tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - bronchiogenic carcinoma Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - tumors Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Liver - angiosarcoma TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Reproductive - Tumorigenic effects - transplacental tumorigenesis Endocrine - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - bronchiogenic carcinoma Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors Endocrine - thyroid tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Endocrine - thyroid tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Endocrine - thyroid tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors MUTATION DATA TYPE OF TEST : Host-mediated assay TEST SYSTEM : Rodent - hamster Bacteria - Salmonella typhimurium DOSE/DURATION : REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 14,1621,1993 *** REVIEWS *** TOXICOLOGY REVIEW APLMAS Archives of Pathology and Laboratory Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1-5(2), 1926-28; V.100- 1976- Volume(issue)/page/year: 107,54,1983 Safety Information Hazard Codes T+ Risk Phrases 45 HS Code 2928000090
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Transport InfoProduct name: Summary 2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
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