2-amino-N-(cyclopropylmethyl)acetamide hydrochloride

• ChemBase ID: 247980
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: C(=O)(NCC1CC1)CN.Cl
• Canonical SMILES: NCC(=O)NCC1CC1.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c7-3-6(9)8-4-5-1-2-5;/h5H,1-4,7H2,(H,8,9);1H
• InChIKey: PUKJEHKZEAWKTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(cyclopropylmethyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(cyclopropylmethyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(cyclopropylmethyl)acetamide hydrochloride

Database IDs

• PubChem SID: 164303890
• PubChem CID: 71758353

CALCULATED PROPERTIES

• Acid pKa: 15.891074
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4432113
• LogD (pH = 7.4): -1.7600493
• Log P: -0.95016485
• Molar Refractivity: 34.6643 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): -0.632

Product Information

• Purity: 95%