N-Acetylhistidine Hydrate (1:1)
[CAS# 10101-30-1]

Identification

• Name: N-Acetylhistidine Hydrate (1:1)
• Synonyms: 2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoic acid hydrate; 2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoic acid monohydrate AC-DL-HIS-OH H2O
• Molecular Formula: C₈H₁₃N₃O₄
• Molecular Weight: 215.21
• CAS Registry Number: 10101-30-1
• SMILES: O.OC(=O)C(NC(C)=O)Cc1cncn1
• InChI: 1S/C8H11N3O3.H2O/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6;/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14);1H2
• InChIKey: PSWSDQRXCOJSFC-UHFFFAOYSA-N

Properties

• Boiling point: 704.3°C at 760 mmHg (Cal.)
• Flash point: 379.8°C (Cal.)
• Refractive index: (Cal.)

Safety Data

• Safety Description: IRRITANT