ADIPONITRILE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H8N2
Molecular Weight	108.1411
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ADIPONITRILE

SMILES

N#CCCCCC#N

InChI

InChIKey=BTGRAWJCKBQKAO-UHFFFAOYSA-N

InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

HIDE SMILES / InChI

Molecular Formula	C6H8N2
Molecular Weight	108.1411
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Toxicology and carcinogenesis studies of acrylonitrile (CAS No. 107-13-1) in B6C3F1 mice (gavage studies).	2001 Oct	11803701
Development of wet environment TEM (wet-ETEM) for in situ studies of liquid-catalyst reactions on the nanoscale.	2002 Feb	14710723
Recovery of acetic acid from waste streams by extractive distillation.	2003	12862234
Ultrasonic effects on electroorganic processes. Part 27. Electroreduction of acrylonitrile at suspended lead particle-electrode.	2006 Jan	16223681
Variable interaction network based variable selection for multivariate calibration.	2007 Sep 5	17765060

Showing 1 to 5 of 10 entries

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Patents

Substance Class	Chemical
Record UNII	SYT33B891I
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-7617

Preferred Name

English

ADIPONITRILE

Systematic Name

English

ADIPONITRILE [HSDB]

Common Name

English

ADIPONITRILE [MI]

Common Name

English

BUTANEDICARBONITRILE

Systematic Name

English

Showing 1 to 5 of 11 entries

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Show entries

Code System

Code

Type

Description

PUBCHEM

8128

PRIMARY

NSC

7617

PRIMARY

FDA UNII

SYT33B891I

PRIMARY

HSDB

627

PRIMARY

ECHA (EC/EINECS)

203-896-3

PRIMARY

Showing 1 to 5 of 9 entries

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