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Details

Stereochemistry RACEMIC
Molecular Formula C4H8N2.ClH
Molecular Weight 120.581
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Aminobutanenitrile hydrochloride

SMILES

Cl.CCC(N)C#N

InChI

InChIKey=OJGHKZQRNGOMQR-UHFFFAOYSA-N
InChI=1S/C4H8N2.ClH/c1-2-4(6)3-5;/h4H,2,6H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C4H8N2
Molecular Weight 84.1197
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 20:22:31 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:31 GMT 2023
Record UNII
QN54SFK8WH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Aminobutanenitrile hydrochloride
Systematic Name English
Butanenitrile, 2-amino-, monohydrochloride
Systematic Name English
Butanenitrile, 2-amino-, hydrochloride (1:1)
Systematic Name English
Butyronitrile, 2-amino-, hydrochloride
Systematic Name English
Code System Code Type Description
CAS
93554-80-4
Created by admin on Sat Dec 16 20:22:32 GMT 2023 , Edited by admin on Sat Dec 16 20:22:32 GMT 2023
PRIMARY
FDA UNII
QN54SFK8WH
Created by admin on Sat Dec 16 20:22:32 GMT 2023 , Edited by admin on Sat Dec 16 20:22:32 GMT 2023
PRIMARY
NSC
113504
Created by admin on Sat Dec 16 20:22:32 GMT 2023 , Edited by admin on Sat Dec 16 20:22:32 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE