nnal
nnal structure
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Common Name | nnal | ||
|---|---|---|---|---|
| CAS Number | 76014-81-8 | Molecular Weight | 209.24500 | |
| Density | 1.16g/cm3 | Boiling Point | 430.2ºC at 760 mmHg | |
| Molecular Formula | C10H15N3O2 | Melting Point | N/A | |
| MSDS | USA | Flash Point | 214ºC | |
| Symbol |
GHS02, GHS06, GHS08 |
Signal Word | Danger | |
| Name | N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide |
|---|---|
| Synonym | More Synonyms |
| Density | 1.16g/cm3 |
|---|---|
| Boiling Point | 430.2ºC at 760 mmHg |
| Molecular Formula | C10H15N3O2 |
| Molecular Weight | 209.24500 |
| Flash Point | 214ºC |
| Exact Mass | 209.11600 |
| PSA | 65.79000 |
| LogP | 1.50840 |
| Index of Refraction | 1.557 |
| InChIKey | OGRXKBUCZFFSTL-UHFFFAOYSA-N |
| SMILES | CN(CCCC(O)c1cccnc1)N=O |
| Storage condition | 2-8°C |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| Symbol |
GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370 |
| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Hazard Codes | F,T |
| Risk Phrases | 11-23/24/25-39/23/24/25 |
| Safety Phrases | 7-16-36/37-45 |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| RTECS | UT5014750 |
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Quantitation of metabolites of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone after cessation of smokeless tobacco use.
Cancer Res. 62(1) , 129-34, (2002) Two major metabolites of the tobacco-specific lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) were previously shown to be highly persistent in human urine after cessation of cigar... |
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Evidence for endogenous formation of N'-nitrosonornicotine in some long-term nicotine patch users.
Nicotine Tob. Res. 11(1) , 99-105, (2009) Nitrosation of nicotine or its metabolites in the human body could lead to formation of the 2 carcinogenic tobacco-specific nitrosamines-N'-nitrosonornicotine (NNN) and 4-(methylnitrosamino)-1-(3-pyri... |
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Comparative metabolism of the tobacco-related carcinogens benzo[a]pyrene, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, and N'- nitrosonornicotine in human hepatic microsomes.
Drug Metab. Dispos. 25(2) , 154-62, (1997) We compared the metabolism in human hepatic microsomes of three tobacco smoke carcinogens believed to be involved in the induction of cancer in humans: benzo[a]pyrene (BaP),4-(methylnitrosamino)-1-(3-... |
| rac NNAL |
| 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol |
| 4-(N-methyl-N-nitrosoamino)-1-(3-pyridyl)-1-butanol |
| 4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-ol |
| nnal |
| 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanol |
| [3H]-(+/-)-NNAL |
| (4-Methylnitrosoamino)-1-(3-pyridyl)-1-butanol |
| [14C]-(+/-)-NNAL |