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Substance Name: Calcium beta-alaninate
RN: 36321-40-1
UNII: XS9ZS53HBP
InChIKey: QRTVQUYKMVAQBJ-UHFFFAOYSA-L

Molecular Formula

  • C3-H7-N-O2.1/2Ca

Molecular Weight

  • 216.249
 
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Names and Synonyms

Name of Substance

  • Calcium beta-alaninate

Synonyms

  • Calcium beta-alanate
  • EINECS 252-973-8
  • UNII-XS9ZS53HBP

Systematic Names

  • beta-Alanine, calcium salt (2:1)
  • Calcium di-beta-alaninate

Registry Numbers

CAS Registry Number

  • 36321-40-1

FDA UNII

  • XS9ZS53HBP

Related Registry Number

  • 107-95-9 (Parent)

System Generated Number

  • 0036321401

Molecular Formulas

Molecular Formula

  • C3-H7-N-O2.1/2Ca

Molecular Formula Fragments

  • C3-H7-N-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

QRTVQUYKMVAQBJ-UHFFFAOYSA-L

Smiles

[Ca+2].C(CCN)(=O)[O-].C(CCN)(=O)[O-]