(1-cyclopropylcyclobutyl)methanamine hydrochloride

• ChemBase ID: 242304
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: C1(CC1)C1(CN)CCC1.Cl
• Canonical SMILES: NCC1(CCC1)C1CC1.Cl
• InChI: InChI=1S/C8H15N.ClH/c9-6-8(4-1-5-8)7-2-3-7;/h7H,1-6,9H2;1H
• InChIKey: WONXFUNHOXZFPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropylcyclobutyl)methanamine hydrochloride
• IUPAC Traditional name: (1-cyclopropylcyclobutyl)methanamine hydrochloride
• Synonyms: (1-cyclopropylcyclobutyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD22566023
• PubChem SID: 164298214
• PubChem CID: 71756986

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7691747
• LogD (pH = 7.4): -1.1416034
• Log P: 1.2455498
• Molar Refractivity: 38.2073 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 26.02 Å^2

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 1.741

Product Information

• Purity: 95%