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1-butyl-2-methyl-4-nitroimidazole

1-butyl-2-methyl-4-nitroimidazole structure

CAS No:
135009-57-3
Formula:
C8H13N3O2
Chemical Name:
1-butyl-2-methyl-4-nitroimidazole
Synonyms:
1-N-butyl-2-methyl-4-nitroimidazole; 1-butyl-2-methyl-4-nitro-1H-imidazole;

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1-butyl-2-methyl-4-nitroimidazole Basic Attributes

Molecular Weight：

183.20800

Exact Mass：

183.100776666

DSSTox ID：

DTXSID60384252

HScode：

2933290090

Characteristics

PSA：

63.64000

XLogP3：

2.42300

Density：

1.2g/cm3

Boiling Point：

336.7ºC

Flash Point：

157.5ºC

Refractive Index：

1.56

Vapor Pressure：

0.000215mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

Computed Properties

Molecular Weight:183.21
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:183.100776666
Monoisotopic Mass:183.100776666
Topological Polar Surface Area:63.6
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-butyl-2-methyl-4-nitroimidazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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