2-METHYLBUTYRONITRILE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C5H9N
Molecular Weight	83.1317
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYLBUTYRONITRILE

Structure Search

SMILES

CCC(C)C#N

InChI

InChIKey=RCEJCSULJQNRQQ-UHFFFAOYSA-N

InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H9N
Molecular Weight	83.1317
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:03:09 GMT 2023` Edited by `admin` on `Sat Dec 16 12:03:09 GMT 2023`
Record UNII	R5Y900M14U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-METHYLBUTYRONITRILE

Systematic Name

English

SEC-BUTYL CYANIDE

Systematic Name

English

.ALPHA.-METHYLBUTYRONITRILE

Systematic Name

English

2-CYANOBUTANE

Systematic Name

English

(±)-2-CYANOBUTANE

Systematic Name

English

BUTANENITRILE, 2-METHYL-

Systematic Name

English

NSC-165615

Code

English

BUTYRONITRILE, 2-METHYL-

Systematic Name

English

2-METHYLBUTANENITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

R5Y900M14U

Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023

PRIMARY

NSC

165615

Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023

PRIMARY

CHEBI

61669

Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023

PRIMARY

PUBCHEM

29339

Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023

PRIMARY

CAS

18936-17-9

Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023

PRIMARY

ECHA (EC/EINECS)

242-687-1

Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023

PRIMARY

EPA CompTox

DTXSID50871287

Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023

PRIMARY

Related Record Type Details


					R5N74V6P9T

2-METHYLBUTYRONITRILE, (R)-

ENANTIOMER -> RACEMATE

Amount:


					GV2WA95CCL

2-METHYLBUTYRONITRILE, (S)-

ENANTIOMER -> RACEMATE

Amount: