CAS Number494-97-3
Synonyms(S)-3-(Pyrrolidin-2-yl)pyridine; 3-(2-Pyrrolidinyl)pyridine; 3-(2S)-2-pyrrolidinylpyridine; (S)-Nornicotine; 3-[(2S)-pyrrolidin-2-yl]pyridine
Molecular FormulaC9H12N2
Molecular Weight192.21
Purity≥95%
Density1.043g/cm3
Boiling Point269.999ºC at 760 mmHg
Melting Point108-110 °C
Appearancepowder or crystals
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 494-97-3 |
| Catalog No. | 2A-1101503 |
| Chinese Name | 原烟碱 |
| Synonyms | (S)-3-(Pyrrolidin-2-yl)pyridine; 3-(2-Pyrrolidinyl)pyridine; 3-(2S)-2-pyrrolidinylpyridine; (S)-Nornicotine; 3-[(2S)-pyrrolidin-2-yl]pyridine |
| Molecular Formula | C9H12N2 |
| Molecular Weight | 192.21 |
| Purity | ≥95 |
| Density | 1.043g/cm3 |
| Boiling Point | 269.999ºC at 760 mmHg |
| Melting Point | 108-110 °C |
| Appearance | powder or crystals |
| Storage Condition | The warehouse is ventilated and dried at low tempe |
| Application | (S)-Nornicotine is a metabolite of nicotine. |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| MDL Number | MFCD01320408 |
| SMILES | CN1[C@@H](C[C@@H](O)C1=O)C=2C=CC=NC2 |
| InChI | InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1 |
| InChI Key | XOKCJXZZNAUIQN-DTWKUNHWSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/101503_1_494_97_3.pdf |
| Use of | (S)-Nornicotine is a metabolite of nicotine. Properties Name nornicotine Synonym More Synonyms (S)-Nornicotine Biological Activity Description (S)-Nornicotine is a metabolite of nicotine. Related Catalog Natural Products >> Alkaloid Research Areas >> Others Human Endogenous Metabolite Chemical & Physical Properties Molecular Formula C9H12N2 Exact Mass 148.10000 PSA 24.92000 LogP 1.83490 Index of Refraction 1.536 InChIKey MYKUKUCHPMASKF-VIFPVBQESA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Nicotine, 1'-demethyl-, (S)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T6NJ C- BT5MTJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 23500 ug/kg 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 : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 14660 ug/kg 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 : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3409 ug/kg 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 : Intraperitoneal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >13700 ug/kg 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 : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Ovary DOSE/DURATION : REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 124,281,1983 Safety Information HS Code 2933990090 Synthetic Route (S)-3-(1-azido-... 314280-29-0 (S)-Nornicotine Literature: Felpin; Girard; Vo-Thanh; Robins; Villieras; Lebreton Journal of Organic Chemistry, 2001 , vol. 66, # 19 p. 6305 - 6312 (2S)-5-BROMO-3-... 83023-58-9 (S)-Nornicotine Literature: Isomura; Wirsching; Janda Journal of Organic Chemistry, 2001 , vol. 66, # 12 p. 4115 - 4121 Ethyl 5-bromoni... 20986-40-7 (S)-Nornicotine Literature: Jacob III Journal of Organic Chemistry, 1982 , vol. 47, # 21 p. 4165 - 4167 Precursor & DownStream Precursor 8 CAS#:83023-58-9 (2S)-5-BROMO-3-... CAS#:20986-40-7 Ethyl 5-bromoni... CAS#:71719-06-7 3-Bromo-5-(2-py... CAS#:64319-85-3 3-Bromo-5-(3,4-... DownStream 2 CAS#:16543-55-8 (2S)-N'-Nitroso... CAS#:54-11-5 L-Nicotine |
| 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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