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Chemical structure of H-D-His(Bzl)-OH

GA22225

H-D-His(Bzl)-OH

Also known as 2-amino-3-(1-benzylimidazol-4-yl)propanoic acid

Mix of τ-Bzl (mainly formed, CAS-number 103772-40-3) and π-Bzl isomer·CAS Number: 103772-40-3 (τ-isomer)

ChemicalCAS2022956-35-8MW245.28FormulaC13H15N3O2
CAS number
2022956-35-8
Molecular weight
245.28
Formula
C13H15N3O2
Solubility
Soluble in DMSO
InChIKey
NMXSWQMJOZUQKY-UHFFFAOYSA-N
Catalogue number
GA22225
Brand
GLPBIO
Computed properties PubChem CID 314478 · XLogP -1.7 · TPSA 81.1 Ų · H-bond donors 2
XLogP
-1.7
TPSA
81.1 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

SMILES C1=CC=C(C=C1)CN2C=C(N=C2)CC(C(=O)O)N

Computed descriptors from PubChem (CID 314478), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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