NERAL NITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H15N
Molecular Weight	149.2328
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of NERAL NITRILE

Structure Search

SMILES

CC(C)=CCC\C(C)=C/C#N

InChI

InChIKey=HLCSDJLATUNSSI-YFHOEESVSA-N

InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-

HIDE SMILES / InChI

Molecular Formula	C10H15N
Molecular Weight	149.2328
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:56:32 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:32 GMT 2025`
Record UNII	H0A28Q5S6U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NERAL NITRILE

Common Name

English

(2Z)-3,7-DIMETHYLOCTA-2,6-DIENENITRILE

Preferred Name

English

2,6-OCTADIENENITRILE, 3,7-DIMETHYL-, (2Z)-

Systematic Name

English

(Z)-3,7-DIMETHYL-2,6-OCTADIENENITRILE

Systematic Name

English

Code System Code Type Description

PUBCHEM

1551245

Created by admin on Mon Mar 31 22:56:32 GMT 2025 , Edited by admin on Mon Mar 31 22:56:32 GMT 2025

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FDA UNII

H0A28Q5S6U

Created by admin on Mon Mar 31 22:56:32 GMT 2025 , Edited by admin on Mon Mar 31 22:56:32 GMT 2025

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EPA CompTox

DTXSID0044816

Created by admin on Mon Mar 31 22:56:32 GMT 2025 , Edited by admin on Mon Mar 31 22:56:32 GMT 2025

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ECHA (EC/EINECS)

250-883-3

Created by admin on Mon Mar 31 22:56:32 GMT 2025 , Edited by admin on Mon Mar 31 22:56:32 GMT 2025

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CAS

31983-27-4

Created by admin on Mon Mar 31 22:56:32 GMT 2025 , Edited by admin on Mon Mar 31 22:56:32 GMT 2025

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