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

  • 1-(1-{3-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}azetidine-3-carbonyl)pyrrolidine
  • 1-Cyclopropanecarbonyl-4-{7-methylthieno[3,2-d]pyrimidin-4-yl}-1,4-diazepane
  • 5-Bromo-2-(4-{[(3-methylpyrazin-2-yl)oxy]methyl}piperidin-1-yl)pyridine-3-carbonitrile
  • 4-Bromo-2-((2-methylallyl)oxy)phenol
  • [(4-Methoxyphenyl)methyl](methyl)[(1,3,4-oxadiazol-2-yl)methyl]amine
  • Benzyl 4-cyano-2,2,6,6-tetramethylpiperidine-1-carboxylate
  • N-(1-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}piperidin-4-yl)methanesulfonamide
  • 1-Cyclopropanecarbonyl-4-{thieno[2,3-d]pyrimidin-4-yl}-1,4-diazepane
  • 1-Cyclopropanecarbonyl-4-{[1,3]thiazolo[4,5-c]pyridin-2-yl}-1,4-diazepane
  • 4-(5-Chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one
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