2-amino-2-cyclopropylpropanamide hydrochloride

• ChemBase ID: 278042
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: C(C1CC1)(C(=O)N)(N)C.Cl
• Canonical SMILES: NC(=O)C(C1CC1)(N)C.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c1-6(8,5(7)9)4-2-3-4;/h4H,2-3,8H2,1H3,(H2,7,9);1H
• InChIKey: KREOZCXAWGJGGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclopropylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-2-cyclopropylpropanamide hydrochloride
• Synonyms: 2-amino-2-cyclopropylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD19982487
• PubChem SID: 164333952
• PubChem CID: 54594811

CALCULATED PROPERTIES

• Acid pKa: 16.355701
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3597155
• LogD (pH = 7.4): -1.897242
• Log P: -0.5291187
• Molar Refractivity: 34.2262 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.809

Product Information

• Purity: 95%