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Details

Stereochemistry ACHIRAL
Molecular Formula 2C3H6NO2.Ca
Molecular Weight 216.248
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BETA-ALANINATE

SMILES

[Ca++].NCCC([O-])=O.NCCC([O-])=O

InChI

InChIKey=QRTVQUYKMVAQBJ-UHFFFAOYSA-L
InChI=1S/2C3H7NO2.Ca/c2*4-2-1-3(5)6;/h2*1-2,4H2,(H,5,6);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C3H6NO2
Molecular Weight 88.0852
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 Fri Dec 15 18:54:16 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:16 GMT 2023
Record UNII
XS9ZS53HBP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM BETA-ALANINATE
Systematic Name English
CALCIUM DI-BETA-ALANINATE
Systematic Name English
CALCIUM BIS(3-AMINOPROPANOATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
161901
Created by admin on Fri Dec 15 18:54:16 GMT 2023 , Edited by admin on Fri Dec 15 18:54:16 GMT 2023
PRIMARY
FDA UNII
XS9ZS53HBP
Created by admin on Fri Dec 15 18:54:16 GMT 2023 , Edited by admin on Fri Dec 15 18:54:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID70890834
Created by admin on Fri Dec 15 18:54:16 GMT 2023 , Edited by admin on Fri Dec 15 18:54:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-973-8
Created by admin on Fri Dec 15 18:54:16 GMT 2023 , Edited by admin on Fri Dec 15 18:54:16 GMT 2023
PRIMARY
CAS
36321-40-1
Created by admin on Fri Dec 15 18:54:16 GMT 2023 , Edited by admin on Fri Dec 15 18:54:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE