![9-Methyl-9-azabicyclo[3.3.1]nonan-3-one structure, CAS 552-70-5](/structures/40000/22839_1_552_70_5.png)
CAS Number552-70-5
Synonymspseudo-Pelletierine; 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one; EINECS 209-021-1; MFCD00078161
Molecular FormulaC9H15NO
Molecular Weight153.22
Purity98.00%
Density1.0±0.1 g/cm3
Boiling Point246.7±15.0 °C at 760 mmHg
Melting Point63-65°C
AppearanceColorless (yellow when exposed)
EINECS209-021-1
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 552-70-5 |
| Catalog No. | 2A-9022839 |
| Chinese Name | 9-甲基-9-氮杂双环[3.3.1]壬-3-酮 |
| Synonyms | pseudo-Pelletierine; 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one; EINECS 209-021-1; MFCD00078161 |
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.22 |
| Purity | 98.00 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 246.7±15.0 °C at 760 mmHg |
| Melting Point | 63-65°C |
| Appearance | Colorless (yellow when exposed) |
| Storage Condition | Sealed, cool and dry 2-8ºC |
| Application | Pseudoberberine is an alkaloid compound that can serve as an enzyme substrate [1]. |
| EINECS | 209-021-1 |
| HTC | 2933990090 |
| SMILES | CN1C2CCCC1CC(=O)C2 |
| InChI | InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3 |
| InChI Key | RHWSKVCZXBAWLZ-UHFFFAOYSA-N |
| MSDS | msds/22839_1_552_70_5.pdf |
| Use of | Pseudopelletierine is an alkaloid compound that can be used as a enzyme substrate[1]. Properties Name pseudopelletierine Synonym More Synonyms 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one Biological Activity Description Pseudopelletierine is an alkaloid compound that can be used as a enzyme substrate[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Boswell, H. D., et al. Metabolism of N-alkyldiamines and N-alkylnortropinones by transformed root cultures of Nicotiana and Brugmansia. Phytochemistry, (1999).52(5), 855-869. Chemical & Physical Properties Molecular Formula C9H15NO Exact Mass 153.115356 PSA 20.31000 Index of Refraction 1.497 InChIKey RHWSKVCZXBAWLZ-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 9-Azabicyclo(3.3.1)nonan-3-one, 9-methyl- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C9-H15-N-O HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,588,1948 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,588,1948 Safety Information Signal Word Warning Hazard Statements H315-H319-H335 Precautionary Statements P261-P305 + P351 + P338 Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves Hazard Codes Xi: Irritant; Safety Phrases S26 RIDADR NONH for all modes of transport WGK Germany 3 RTECS CL5593500 HS Code 2933990090 Synthetic Route cis,cis-2,7-cyc... 35242-04-7 Methylamine hyd... 9-Methyl-9-azab... Literature: Nicolaou; Montagnon; Baran; Zhong Journal of the American Chemical Society, 2002 , vol. 124, # 10 p. 2245 - 2258 9-Azabicyclo[3.... 9-Methyl-9-azab... Cyclooctanone 9-Methyl-9-azab... Literature: Journal of the American Chemical Society, , vol. 124, # 10 p. 2245 - 2258 Precursor & DownStream Precursor 9 CAS#:35242-04-7 cis,cis-2,7-cyc... CAS#:593-51-1 Methylamine hyd... CAS#:6164-62-1 9-Azabicyclo[3.... CAS#:502-49-8 Cyclooctanone DownStream 5 CAS#:4390-39-0 9-azabicyclo[3.... CAS#:2038-40-6 5-methyl-9-azab... CAS#:72761-60-5 9-Azabicyclo[3.... CAS#:123259-33-6 ENDO-N,9-DIMETH... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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