(1-cyclopropylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 242524
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1(C2CC2)(CC1)CN.Cl
• Canonical SMILES: NCC1(CC1)C1CC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-5-7(3-4-7)6-1-2-6;/h6H,1-5,8H2;1H
• InChIKey: DQHWOGAATFTNQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22566060
• PubChem SID: 164298434
• PubChem CID: 71757034

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2137425
• LogD (pH = 7.4): -1.5861559
• Log P: 0.8009811
• Molar Refractivity: 33.6063 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

• Hydrophobicity(logP): 1.182

Product Information

• Purity: 95%