nnal

Names

[ Name ]:
nnal

[Synonym ]:
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

Chemical & Physical Properties

[ 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

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UT5014750

CHEMICAL NAME :: 3-Pyridinemethanol, alpha-(3-(methylnitrosoamino)propyl)-

CAS REGISTRY NUMBER :: 76014-81-8

LAST UPDATED :: 199507

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H15-N3-O2

MOLECULAR WEIGHT :: 209.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 41850 ug/kg

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 11,1017,1990

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 105 mg/kg/7W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors

REFERENCE :: CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 71,25,1993

Safety Information

[ 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

Articles

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...

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...

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-...