2,2',2''-NITRILOTRISACETONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6N4
Molecular Weight	134.1386
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2',2''-NITRILOTRISACETONITRILE

Structure Search

SMILES

N#CCN(CC#N)CC#N

InChI

InChIKey=LJAIDEYQVIJERM-UHFFFAOYSA-N

InChI=1S/C6H6N4/c7-1-4-10(5-2-8)6-3-9/h4-6H2

HIDE SMILES / InChI

Molecular Formula	C6H6N4
Molecular Weight	134.1386
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 `Mon Mar 31 21:10:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:10:26 GMT 2025`
Record UNII	86K27312YB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J27.814I

Preferred Name

English

2,2',2''-NITRILOTRISACETONITRILE

Common Name

English

ACETONITRILE, NITRILOTRI-

Systematic Name

English

.ALPHA.-AMINOTRIACETONITRILE

Systematic Name

English

NITRILOTRISACETONITRILE

Systematic Name

English

NSC-93814

Code

English

NITRILOTRIACETONITRILE

Systematic Name

English

ACETONITRILE, 2,2',2''-NITRILOTRIS-

Systematic Name

English

Code System Code Type Description

PUBCHEM

81762

Created by admin on Mon Mar 31 21:10:26 GMT 2025 , Edited by admin on Mon Mar 31 21:10:26 GMT 2025

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WIKIPEDIA

2,2',2''-Nitrilotriacetonitrile

Created by admin on Mon Mar 31 21:10:26 GMT 2025 , Edited by admin on Mon Mar 31 21:10:26 GMT 2025

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NSC

93814

Created by admin on Mon Mar 31 21:10:26 GMT 2025 , Edited by admin on Mon Mar 31 21:10:26 GMT 2025

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EPA CompTox

DTXSID3029285

Created by admin on Mon Mar 31 21:10:26 GMT 2025 , Edited by admin on Mon Mar 31 21:10:26 GMT 2025

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ECHA (EC/EINECS)

230-804-9

Created by admin on Mon Mar 31 21:10:26 GMT 2025 , Edited by admin on Mon Mar 31 21:10:26 GMT 2025

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CAS

7327-60-8

Created by admin on Mon Mar 31 21:10:26 GMT 2025 , Edited by admin on Mon Mar 31 21:10:26 GMT 2025

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FDA UNII

86K27312YB

Created by admin on Mon Mar 31 21:10:26 GMT 2025 , Edited by admin on Mon Mar 31 21:10:26 GMT 2025

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