N-cyclopropylcyclopropanamine hydrochloride

• ChemBase ID: 91383
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: N(C1CC1)C1CC1.Cl
• Canonical SMILES: C1CC1NC1CC1.Cl
• InChI: InChI=1S/C6H11N.ClH/c1-2-5(1)7-6-3-4-6;/h5-7H,1-4H2;1H
• InChIKey: FUIHNRAZVMHKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylcyclopropanamine hydrochloride
• IUPAC Traditional name: N-cyclopropylcyclopropanamine hydrochloride
• Synonyms: Dicyclopropylamine hydrochloride

Database IDs

• CAS Number: 246257-69-2
• MDL Number: MFCD06796385
• PubChem SID: 162078082
• PubChem CID: 44717154

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.474211
• LogD (pH = 7.4): -1.685734
• Log P: 0.7382506
• Molar Refractivity: 29.1158 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92-98°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%