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Details

Stereochemistry ACHIRAL
Molecular Formula C4H4O4.2C3H6N2
Molecular Weight 256.2584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BIS(3-AMINOPROPIONONITRILE) FUMARATE

SMILES

NCCC#N.NCCC#N.OC(=O)\C=C\C(O)=O

InChI

InChIKey=NYMXYZMHOZAPHQ-SEPHDYHBSA-N
InChI=1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;

HIDE SMILES / InChI

Molecular Formula C3H6N2
Molecular Weight 70.0931
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
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 Fri Dec 15 15:00:13 UTC 2023
Edited
by admin
on Fri Dec 15 15:00:13 UTC 2023
Record UNII
1O0893POYK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(3-AMINOPROPIONONITRILE) FUMARATE
Systematic Name English
.BETA.-AMMONIUMPROPIONITRILE HEMIFUMARATE
Common Name English
FUMARIC ACID, SALT WITH 3-AMINOPROPIONITRILE
Systematic Name English
PROPIONITRILE, 3-AMINO-, FUMARATE (2:1)
Systematic Name English
DI-.BETA.-AMINOPROPIONITRILE FUMARATE
Common Name English
PROPANENITRILE, 3-AMINO-, (2E)-2-BUTENEDIOATE (2:1)
Systematic Name English
PROPANENITRILE, 3-AMINO-, (E)-2-BUTENEDIOATE (2:1)
Systematic Name English
.BETA.-AMINOPROPIONITRILE FUMARATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
218-208-7
Created by admin on Fri Dec 15 15:00:13 UTC 2023 , Edited by admin on Fri Dec 15 15:00:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID0045751
Created by admin on Fri Dec 15 15:00:13 UTC 2023 , Edited by admin on Fri Dec 15 15:00:13 UTC 2023
PRIMARY
CAS
2079-89-2
Created by admin on Fri Dec 15 15:00:13 UTC 2023 , Edited by admin on Fri Dec 15 15:00:13 UTC 2023
PRIMARY
PUBCHEM
5462653
Created by admin on Fri Dec 15 15:00:13 UTC 2023 , Edited by admin on Fri Dec 15 15:00:13 UTC 2023
PRIMARY
FDA UNII
1O0893POYK
Created by admin on Fri Dec 15 15:00:13 UTC 2023 , Edited by admin on Fri Dec 15 15:00:13 UTC 2023
PRIMARY
Related Record Type Details
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PARENT -> SALT/SOLVATE