2-(1-aminocyclobutyl)acetamide hydrochloride

• ChemBase ID: 236322
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: C(C(=O)N)C1(N)CCC1.Cl
• Canonical SMILES: NC(=O)CC1(N)CCC1.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c7-5(9)4-6(8)2-1-3-6;/h1-4,8H2,(H2,7,9);1H
• InChIKey: ATWJAYXTMYRRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminocyclobutyl)acetamide hydrochloride
• IUPAC Traditional name: 2-(1-aminocyclobutyl)acetamide hydrochloride
• Synonyms: 2-(1-aminocyclobutyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD22196567
• PubChem SID: 164292232
• PubChem CID: 71755690

CALCULATED PROPERTIES

• Acid pKa: 16.687138
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8643594
• LogD (pH = 7.4): -2.8727114
• Log P: -0.8835035
• Molar Refractivity: 34.2268 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

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): -0.651

Product Information

• Purity: 95%