3-(Hexamethyleneimino)propionitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16N2
Molecular Weight	152.2367
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(Hexamethyleneimino)propionitrile

Structure Search

SMILES

N#CCCN1CCCCCC1

InChI

InChIKey=GDQLRKPUJAWNNP-UHFFFAOYSA-N

InChI=1S/C9H16N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-5,7-9H2

HIDE SMILES / InChI

Molecular Formula	C9H16N2
Molecular Weight	152.2367
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:10:40 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:40 GMT 2025`
Record UNII	5QS8H4WBL8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(Hexamethyleneimino)propionitrile

Systematic Name

English

NSC-73498

Preferred Name

English

Propionitrile, 3-(hexahydro-1H-azepin-1-yl)-

Systematic Name

English

3-Perhydroazepin-1-ylpropiononitrile

Systematic Name

English

Code System Code Type Description

FDA UNII

5QS8H4WBL8

Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025

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EPA CompTox

DTXSID10239546

Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025

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NSC

73498

Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025

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PUBCHEM

70302

Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025

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CAS

937-51-9

Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025

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ECHA (EC/EINECS)

213-330-7

Created by admin on Tue Apr 01 19:10:40 GMT 2025 , Edited by admin on Tue Apr 01 19:10:40 GMT 2025

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