(1-propylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 238077
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(CC1)(CN)CCC.Cl
• Canonical SMILES: CCCC1(CN)CC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-2-3-7(6-8)4-5-7;/h2-6,8H2,1H3;1H
• InChIKey: FPSBLQYVLWQITA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375336
• PubChem SID: 164293987
• PubChem CID: 71756087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5928056
• LogD (pH = 7.4): -0.97122514
• Log P: 1.4222566
• Molar Refractivity: 35.4609 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 1.886

Product Information

• Purity: 95%