Histidine-betaine

CAS Registry Number®

534-30-5
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CAS Name

Histidine-betaine

Molecular Formula

C9H15N3O2

Cite this Page

Histidine-betaine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=534-30-5 (retrieved 2024-05-06) (CAS RN: 534-30-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240-242 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/t8-/m0/s1

InChIKey

InChIKey=GPPYTCRVKHULJH-QMMMGPOBSA-N

SMILES

[C@@H](CC1=CN=CN1)([N@+](C)(C)C)C([O-])=O

Canonical SMILES

O=C([O-])C(CC1=CN=CN1)[N+](C)(C)C

Other Names for this Substance

  • 1H-Imidazole-4-ethanaminium, α-carboxy-N,N,N-trimethyl-, inner salt, (αS)-
  • Ammonium, (1-carboxy-2-imidazol-4-ylethyl)trimethyl-, hydroxide, inner salt, L-
  • 1H-Imidazole-4-ethanaminium, α-carboxy-N,N,N-trimethyl-, inner salt, (S)-
  • Histidine-betaine
  • α-N,N,N-Trimethylhistidine

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