Ectoine

CAS Registry Number®

96702-03-3
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CAS Name

Ectoine

Molecular Formula

C6H10N2O2

Molecular Mass

142.16

Cite this Page

Ectoine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=96702-03-3 (retrieved 2024-04-19) (CAS RN: 96702-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

InChIKey

InChIKey=WQXNXVUDBPYKBA-YFKPBYRVSA-N

SMILES

C(O)(=O)[C@H]1NC(C)=NCC1

Canonical SMILES

O=C(O)C1NC(=NCC1)C

Other Names for this Substance

  • 4-Pyrimidinecarboxylic acid, 3,4,5,6-tetrahydro-2-methyl-, (4S)-
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (S)-
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (4S)-
  • (4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • Ectoine

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Deleted or Replaced CAS Registry Numbers

134522-10-4, 162763-51-1

CAS INSIGHTSTM
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