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

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

CAS No:
127686-49-1
Formula:
C12H15N3O4
Chemical Name:
4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone
Synonyms:
1-Butanone,4-[[(acetyloxy)methyl]nitrosoamino]-1-(3-pyridinyl)-;4-[[(Acetyloxy)methyl]nitrosoamino]-1-(3-pyridinyl)-1-butanone;4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone;(Nitroso(4-oxo-4-(pyridin-3-yl)butyl)amino)methyl acetate

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Description

Light Yellow Solid

4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone Basic Attributes

Molecular Weight：

265.267

Exact Mass：

265.27

DSSTox ID：

DTXSID20155627

Characteristics

PSA：

88.9

XLogP3：

0.8

Density：

1.23g/cm3

Melting Point：

60-62°C

Boiling Point：

476.2ºC at 760 mmHg

Flash Point：

241.8ºC

Refractive Index：

1.556

Storage Conditions：

-20°C Freezer

Vapor Pressure：

3.12E-09mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-(acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone

4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone Use and Manufacturing

Potent carcinogen, NKK precursor

Computed Properties

Molecular Weight:265.26
XLogP3:0.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:265.10625597
Monoisotopic Mass:265.10625597
Topological Polar Surface Area:88.9
Heavy Atom Count:19
Complexity:322
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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

SDS

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