1,1,1-TRIS(2-CYANOETHYL)ACETONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15N3O
Molecular Weight	217.267
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1,1-TRIS(2-CYANOETHYL)ACETONE

Structure Search

SMILES

CC(=O)C(CCC#N)(CCC#N)CCC#N

InChI

InChIKey=JEQZAEPYFGSAIF-UHFFFAOYSA-N

InChI=1S/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H15N3O
Molecular Weight	217.267
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 17:52:30 GMT 2025` Edited by `admin` on `Tue Apr 01 17:52:30 GMT 2025`
Record UNII	M2YBH5Y6K7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-147707

Preferred Name

English

1,1,1-TRIS(2-CYANOETHYL)ACETONE

Systematic Name

English

HEPTANEDINITRILE, 4-ACETYL-4-(2-CYANOETHYL)-

Systematic Name

English

NSC-680511

Code

English

4-ACETYL-4-(2-CYANOETHYL)HEPTANEDINITRILE

Systematic Name

English

1,1,1-TRIS(2-CYANOETHYL)-2-PROPANONE

Systematic Name

English

1,1,1-TRIS(.BETA.-CYANOETHYL)ACETONE

Systematic Name

English

1,7-HEPTANEDINITRILE, 4-ACETYL-4-(2-CYANOETHYL)-

Systematic Name

English

Code System Code Type Description

NSC

147707

Created by admin on Tue Apr 01 17:52:30 GMT 2025 , Edited by admin on Tue Apr 01 17:52:30 GMT 2025

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EPA CompTox

DTXSID90155038

Created by admin on Tue Apr 01 17:52:30 GMT 2025 , Edited by admin on Tue Apr 01 17:52:30 GMT 2025

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PUBCHEM

31349

Created by admin on Tue Apr 01 17:52:30 GMT 2025 , Edited by admin on Tue Apr 01 17:52:30 GMT 2025

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FDA UNII

M2YBH5Y6K7

Created by admin on Tue Apr 01 17:52:30 GMT 2025 , Edited by admin on Tue Apr 01 17:52:30 GMT 2025

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CAS

126-50-1

Created by admin on Tue Apr 01 17:52:30 GMT 2025 , Edited by admin on Tue Apr 01 17:52:30 GMT 2025

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ECHA (EC/EINECS)

204-787-3

Created by admin on Tue Apr 01 17:52:30 GMT 2025 , Edited by admin on Tue Apr 01 17:52:30 GMT 2025

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NSC

680511

Created by admin on Tue Apr 01 17:52:30 GMT 2025 , Edited by admin on Tue Apr 01 17:52:30 GMT 2025

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