(2-cyclopropylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 236384
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1(CC1CN)C1CC1.Cl
• Canonical SMILES: NCC1CC1C1CC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-4-6-3-7(6)5-1-2-5;/h5-7H,1-4,8H2;1H
• InChIKey: VMQRJHUBVRRXJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclopropylcyclopropyl)methanamine hydrochloride
• IUPAC Traditional name: (2-cyclopropylcyclopropyl)methanamine hydrochloride
• Synonyms: (2-cyclopropylcyclopropyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD22196577
• PubChem SID: 164292294
• PubChem CID: 71755697

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3141105
• LogD (pH = 7.4): -1.897892
• Log P: 0.7099994
• Molar Refractivity: 33.7568 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): 1.182

Product Information

• Purity: 95%