1-aminocyclopropane-1-carboxamide hydrochloride

• ChemBase ID: 237954
• Molecular Formular: C4H9ClN2O
• Molecular Mass: 136.58006
• Monoisotopic Mass: 136.0403406
• SMILES: C1(C(=O)N)(CC1)N.Cl
• Canonical SMILES: NC(=O)C1(N)CC1.Cl
• InChI: InChI=1S/C4H8N2O.ClH/c5-3(7)4(6)1-2-4;/h1-2,6H2,(H2,5,7);1H
• InChIKey: QMZUYTWDRXLLCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminocyclopropane-1-carboxamide hydrochloride
• IUPAC Traditional name: 1-aminocyclopropane-1-carboxamide hydrochloride
• Synonyms: 1-aminocyclopropane-1-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD22375310
• PubChem SID: 164293864
• PubChem CID: 69180005

CALCULATED PROPERTIES

• Acid pKa: 16.138416
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8503947
• LogD (pH = 7.4): -2.193672
• Log P: -1.2607065
• Molar Refractivity: 25.0766 cm^3
• Polarizability: 10.127871 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): -1.617

Product Information

• Purity: 95%