2-amino-N-hydroxypropanamide

• ChemBase ID: 153403
• Molecular Formular: C3H8N2O2
• Molecular Mass: 104.10782
• Monoisotopic Mass: 104.05857751
• SMILES: CC(C(=O)NO)N
• Canonical SMILES: CC(C(=O)NO)N
• InChI: InChI=1S/C3H8N2O2/c1-2(4)3(6)5-7/h2,7H,4H2,1H3,(H,5,6)
• InChIKey: BAAQJFBTHFOHLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-hydroxypropanamide
• IUPAC Traditional name: 2-amino-N-hydroxypropanamide
• Synonyms: 2-amino-N-hydroxypropanamide; DL-Alanine hydroxamate

Database IDs

• CAS Number: 16707-85-0
• MDL Number: MFCD00056121
• PubChem SID: 162247542
• PubChem CID: 220710

CALCULATED PROPERTIES

• Acid pKa: 8.891532
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.7826228
• LogD (pH = 7.4): -2.1237993
• Log P: -1.7987121
• Molar Refractivity: 24.0841 cm^3
• Polarizability: 9.6928005 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -1.889

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C3H8N2O2