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Name	4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol	EINECS	N/A
CAS No.	76014-81-8	Density	1.16g/cm³
PSA	65.79000	LogP	1.50840
Solubility	N/A	Melting Point	N/A
Formula	C10H15 N3 O2	Boiling Point	430.2°C at 760 mmHg
Molecular Weight	209.248	Flash Point	214°C
Transport Information	N/A	Appearance	N/A
Safety	Questionable carcinogen with carcinogenic and neoplastic data. When heated to decomposition it emits toxic vapors of NO_x.	Risk Codes	11-23/24/25-39/23/24/25
Molecular Structure		Hazard Symbols	F,T
Synonyms	(?à)-NNAL;4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)butan-1-ol; NNAL; Racemic4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol; Racemic NNAL	Article Data	3

4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol Chemical Properties

The Molecular Structure of 4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol (CAS NO.76014-81-8):

Molecular Formula: C₁₀H₁₅N₃O₂
Molecular Weight:209.245000 g/mol
IUPAC: N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide
Index of Refraction: 1.557
Molar Refractivity: 57.66cm³
Molar Volume: 178.9cm³
Surface Tension: 44.8 dyne/cm
Density: 1.16 g/cm³
Flash Point: 214 °C
Enthalpy of Vaporization: 72.27 kJ/mol
Boiling Point: 430.2 °C at 760 mmHg
Vapour Pressure: 3.64E-08 mmHg at 25°C
Storage temp: 2-8°C
Product Categories: Nicotine Derivatives;Heterocycles;Metabolites & Impurities
InChI
InChI=1/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3
Smiles
c1(cnccc1)[C@@H](CCCN(C)N=O)O

4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol Uses

4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol (CAS NO.76014-81-8) can be used as a metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine .

4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol Safety Profile

Questionable carcinogen with carcinogenic and neoplastic data. When heated to decomposition it emits toxic vapors of NO_x.

4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol Specification

4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol (CAS NO.76014-81-8) is also called as CCRIS 3049 ; alpha-(3-(Methylnitrosoamino)propyl)-3-pyridinemethanol ; 3-Pyridinemethanol, alpha-(3-(methylnitrosoamino)propyl)- .

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