2-cyclopropylpropan-1-amine hydrochloride

• ChemBase ID: 263418
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1)C(CN)C.Cl
• Canonical SMILES: NCC(C1CC1)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5(4-7)6-2-3-6;/h5-6H,2-4,7H2,1H3;1H
• InChIKey: HHQIIYADZGDLNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpropan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclopropylpropan-1-amine hydrochloride
• Synonyms: 2-cyclopropylpropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD13196072
• PubChem SID: 164319328
• PubChem CID: 45792327

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1375828
• LogD (pH = 7.4): -1.726657
• Log P: 0.8867062
• Molar Refractivity: 31.0104 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 1.237

Product Information

• Purity: 95%