3-amino-3-cyclopropylpropanamide hydrochloride

• ChemBase ID: 279126
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: C(C(=O)N)C(C1CC1)N.Cl
• Canonical SMILES: NC(C1CC1)CC(=O)N.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c7-5(3-6(8)9)4-1-2-4;/h4-5H,1-3,7H2,(H2,8,9);1H
• InChIKey: DAUPZEUAZZOGRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-cyclopropylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-3-cyclopropylpropanamide hydrochloride
• Synonyms: 3-amino-3-cyclopropylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD20233601
• PubChem SID: 164335036
• PubChem CID: 54595151

CALCULATED PROPERTIES

• Acid pKa: 16.69156
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8551686
• LogD (pH = 7.4): -2.8448985
• Log P: -0.87706107
• Molar Refractivity: 34.1372 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234 - 236°C
• Hydrophobicity(logP): -0.801

Product Information

• Purity: 95%