1-aminocyclobutane-1-carboxamide hydrochloride

• ChemBase ID: 241935
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: C(=O)(C1(N)CCC1)N.Cl
• Canonical SMILES: NC(=O)C1(N)CCC1.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c6-4(8)5(7)2-1-3-5;/h1-3,7H2,(H2,6,8);1H
• InChIKey: YGDKGCVBVQCGLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22565954
• PubChem SID: 164297845
• PubChem CID: 71756907

CALCULATED PROPERTIES

• Acid pKa: 16.262146
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5423763
• LogD (pH = 7.4): -1.9632447
• Log P: -0.8161378
• Molar Refractivity: 29.6776 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): -1.058

Product Information

• Purity: 95%