1,3,6-TRICYANOHEXANE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H11N3
Molecular Weight	161.2037
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3,6-TRICYANOHEXANE

Structure Search

SMILES

N#CCCCC(CCC#N)C#N

InChI

InChIKey=LNLFLMCWDHZINJ-UHFFFAOYSA-N

InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2

HIDE SMILES / InChI

Molecular Formula	C9H11N3
Molecular Weight	161.2037
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 `Mon Mar 31 22:20:14 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:14 GMT 2025`
Record UNII	SJY3YNQ3SI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,3,6-TRICYANOHEXANE [HSDB]

Preferred Name

English

1,3,6-TRICYANOHEXANE

Systematic Name

English

4-CYANOSUBERONITRILE

Systematic Name

English

1,3,6-HEXANETRICARBONITRILE

Systematic Name

English

HEXANE-1,3,6-TRICARBONITRILE

Systematic Name

English

Code System Code Type Description

PUBCHEM

15678

Created by admin on Mon Mar 31 22:20:14 GMT 2025 , Edited by admin on Mon Mar 31 22:20:14 GMT 2025

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CAS

1772-25-4

Created by admin on Mon Mar 31 22:20:14 GMT 2025 , Edited by admin on Mon Mar 31 22:20:14 GMT 2025

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FDA UNII

SJY3YNQ3SI

Created by admin on Mon Mar 31 22:20:14 GMT 2025 , Edited by admin on Mon Mar 31 22:20:14 GMT 2025

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EPA CompTox

DTXSID4041234

Created by admin on Mon Mar 31 22:20:14 GMT 2025 , Edited by admin on Mon Mar 31 22:20:14 GMT 2025

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HSDB

5855

Created by admin on Mon Mar 31 22:20:14 GMT 2025 , Edited by admin on Mon Mar 31 22:20:14 GMT 2025

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ECHA (EC/EINECS)

217-199-7

Created by admin on Mon Mar 31 22:20:14 GMT 2025 , Edited by admin on Mon Mar 31 22:20:14 GMT 2025

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