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2,4-DIMETHYLVALERONITRILE

2,4-DIMETHYLVALERONITRILE structure

CAS No:
6339-13-5
Formula:
C7H13N
Chemical Name:
2,4-DIMETHYLVALERONITRILE
Synonyms:
Pentanenitrile, 2-methyl-;2-methylpentanenitrile;Pentanenitrile, methyl-;876295-65-7;methylvaleronitrile;NSC38217;2-methylvaleronitrile;2-methyl-pentanenitrile;CTK2I2307;DTXSID50284671

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2,4-DIMETHYLVALERONITRILE Basic Attributes

Molecular Weight：

97.15820

Exact Mass：

97.08910

NSC Number：

38217

DSSTox ID：

DTXSID50284671

Characteristics

PSA：

23.79000

XLogP3：

1.94618

Density：

0.8g/cm3

Melting Point：

-32.8°C (estimate)

Boiling Point：

150.2ºC at 760 mmHg

Flash Point：

46ºC

Refractive Index：

1.404

Computed Properties

Molecular Weight:97.16
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:97.089149355
Monoisotopic Mass:97.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:7
Complexity:77.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-DIMETHYLVALERONITRILE

Basic Attributes
Characteristics
Computed Properties

2,4-DIMETHYLVALERONITRILE

SDS

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