hydrogen 1-aminopropan-2-one chloride

• ChemBase ID: 287062
• Molecular Formular: C3H7ClNO-
• Molecular Mass: 108.54678
• Monoisotopic Mass: 108.02161653
• SMILES: C(N)C(=O)C.[Cl-]
• Canonical SMILES: CC(=O)CN.[Cl-]
• InChI: InChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2,4H2,1H3;1H/p-1
• InChIKey: RUCLDQBBIJKQHO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 1-aminopropan-2-one chloride
• IUPAC Traditional name: hydrogen α-aminoacetone chloride
• Synonyms: 1-Aminopropan-2-one hydrochloride

Database IDs

• CAS Number: 7737-17-9
• MDL Number: MFCD00056125
• PubChem SID: 180672593
• PubChem CID: 50986675

CALCULATED PROPERTIES

• Acid pKa: 17.29553
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0827453
• LogD (pH = 7.4): -1.3939892
• Log P: -0.81785005
• Molar Refractivity: 19.5545 cm^3
• Polarizability: 7.8588223 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%