4-(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone

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Names

[ CAS No. ]:
127686-49-1

[ Name ]:
4-(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone

[Synonym ]:
Acetoxymethyl-NNK

Chemical & Physical Properties

[ Density]:
1.23g/cm3

[ Boiling Point ]:
476.2ºC at 760 mmHg

[ Melting Point ]:
60-62ºC

[ Molecular Formula ]:
C₁₂H₁₅N₃O₄

[ Molecular Weight ]:
265.26500

[ Flash Point ]:
241.8ºC

[ Exact Mass ]:
265.10600

[ PSA ]:
88.93000

[ LogP ]:
1.54850

[ Vapour Pressure ]:
3.12E-09mmHg at 25°C

[ Index of Refraction ]:
1.556

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EL6557000

CHEMICAL NAME :: 1-Butanone, 4-(((acetyloxy)methyl)nitrosoamino)-1-(3-pyridinyl)-

CAS REGISTRY NUMBER :: 127686-49-1

LAST UPDATED :: 199410

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C12-H15-N3-O4

MOLECULAR WEIGHT :: 265.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 10 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 279,91,1992

Related Compounds

(4-Cyanobenzoyl)alanine
(+)-Desethylchloroquine
(4aR,8aR)-3,3-Dimethyloctahydroquinoxalin-2(1H)-one
4-[(Carbamoylamino)sulfonyl]benzoicacid
4-Chloro-3-(N-(3-ethynylphenyl)sulfamoyl)benzoic acid
(E)-1-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide
N-[3-(1H-pyrazol-3-yl)phenyl]cyclopentanecarboxamide
N-[3-(Aminooxy)propyl]benzenesulfonamide
N-allyl-5-ethyl-2-methoxybenzenesulfonamide
2-(Methylsulfonyl)-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]benzamide

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