rac N'-Nitrosonornicotine
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rac N'-Nitrosonornicotine
structure -
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CAS No:
80508-23-2
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Formula:
C9H11N3O
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Chemical Name:
rac N'-Nitrosonornicotine
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Synonyms:
anti-NNitrosonornicotine;rac N'-Nitrosonornicotine;syn-NNitrosonornicotine;3-[(2R, S)-1-Nitroso-2-pyrrolidinyl]-pyridine;rac-N'-Nitroso Nornicotine (1.0 Mg/ML in Methanol);rac-N'-Nitroso Nornicotine (1.0 Mg/ML in Acetonitrile);1-Nitroso-2-(3-pyridyl)pyrrolidine, 3-(1-Nitroso-2-pyrrolidinyl)pyridine, NNN;Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, (S)-
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CAS No:
Description
Light Yellow Solid
Solid
N'-Nitrosonornicotine is a member of pyrrolidines and a member of pyridines.
Characteristics
45.56000
1.83780
Solid
1.28±0.1 g/cm3(Predicted)
43-45°C
369.5±35.0 °C(Predicted)
9℃
Insoluble (NTP, 1992)
-20°C Freezer
5.1X10-4 mm Hg at 25 deg C (est)
5.16±0.12(Predicted)
-20°C Freezer
Safety Information
UN28116.1/PG3
3
F,T
36/37-45-16
F,T
P281-P301 + P310
25-40-39/23/24/25-23/24/25-11
UN2811 6.1/PG 3
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P310, P308+P313, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Drug Information
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)
N'-nitrosonornicotine (NNN) is a known thirdhand smoke metabolite of N'-Nitrosonornicotine (NNN).|Np-nitrosonornicotine has known human metabolites that include Np-nitrosonornicotine, N-glucuronide.
N'-nitrosonornicotine
rac N'-Nitrosonornicotine Use and Manufacturing
N'-Nitrosonornicotine (NNN) is a tobacco alkaloid known as esophageal carcinogen. NNN is the cause of esophageal and oral cavity cancer in smokers and snuff dippers. The studies showedthat the carcinogenicity of (S)-NNN, the predominant enantiomer in tobacco products, may be greater than that of (R)-NNN or racemic NNN.
A tobacco alkaloid as risk factor of human cancer.
Computed Properties
Molecular Weight:177.20
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:177.090211983
Monoisotopic Mass:177.090211983
Topological Polar Surface Area:45.6
Heavy Atom Count:13
Complexity:186
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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