N-(propan-2-yl)cyclobutanamine hydrochloride

• ChemBase ID: 278124
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N(C1CCC1)C(C)C.Cl
• Canonical SMILES: CC(NC1CCC1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)8-7-4-3-5-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: QGOQWBBNKVMONZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)cyclobutanamine hydrochloride
• IUPAC Traditional name: N-isopropylcyclobutanamine hydrochloride
• Synonyms: N-(propan-2-yl)cyclobutanamine hydrochloride

Database IDs

• MDL Number: MFCD19982505
• PubChem SID: 164334034
• PubChem CID: 20463012

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.74486
• LogD (pH = 7.4): -1.4086863
• Log P: 1.4906377
• Molar Refractivity: 35.673 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 1.233

Product Information

• Purity: 95%