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4-N-BUTYL-2-METHYLBENZONITRILE

4-N-BUTYL-2-METHYLBENZONITRILE structure

CAS No:
175278-39-4
Formula:
C12H15N
Chemical Name:
4-N-BUTYL-2-METHYLBENZONITRILE
Synonyms:
4-butyl-2-methylbenzonitrile;

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4-N-BUTYL-2-METHYLBENZONITRILE Basic Attributes

Molecular Weight：

173.25400

Exact Mass：

173.120449483

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

3.20928

Density：

0.95g/cm3

Boiling Point：

281.2ºC at 760mmHg

Flash Point：

124.1ºC

Refractive Index：

1.511

Vapor Pressure：

0.00362mmHg at 25°C

Safety Information

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S26; S36/37/39

Computed Properties

Molecular Weight:173.25
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:173.120449483
Monoisotopic Mass:173.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-N-BUTYL-2-METHYLBENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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