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(2S)-2-Methylbutanenitrile

(2S)-2-Methylbutanenitrile structure

CAS No:
25570-03-0
Formula:
C5H9N
Chemical Name:
(2S)-2-Methylbutanenitrile
Synonyms:
Butanenitrile,2-methyl-,(2S)-;Butyronitrile,2-methyl-,(S)-(+)-;Butanenitrile,2-methyl-,(S)-;(2S)-2-Methylbutanenitrile;(S)-(+)-2-Methylbutyronitrile;(2S)-2-Methylbutanenitrile

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Description

(2S)-2-methylbutanenitrile is a 2-methylbutyronitrile that has S configuration.

(2S)-2-Methylbutanenitrile Basic Attributes

Molecular Weight：

83.13170

Exact Mass：

83.13

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

1.55608

Density：

0.806 g/cm³ @ Temp: 25 °C

Boiling Point：

124-125 °C

Flash Point：

76 °F

Refractive Index：

n20/D 1.39(lit.)

Vapor Pressure：

11.2mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1993 3/PG 3

hazard class code：

R10; R20/21/22

safety instructions：

S16; S36

Marks：

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P322, P330, P363, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

(S)-2-methylbutyronitrile

Computed Properties

Molecular Weight:83.13
XLogP3:1.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:83.073499291
Monoisotopic Mass:83.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:67.3
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(S)-(+)-2-Methylbutyronitrile

CAS No.: 25570-03-0

Content: 99.00%

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Guide of (2S)-2-Methylbutanenitrile

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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