1-cyclopropylcyclopropan-1-amine hydrochloride

• ChemBase ID: 238465
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: C1(C2CC2)(CC1)N.Cl
• Canonical SMILES: NC1(CC1)C1CC1.Cl
• InChI: InChI=1S/C6H11N.ClH/c7-6(3-4-6)5-1-2-5;/h5H,1-4,7H2;1H
• InChIKey: AOPYBRLTXWCZAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-cyclopropylcyclopropan-1-amine hydrochloride
• Synonyms: 1-cyclopropylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22375397
• PubChem SID: 164294375
• PubChem CID: 53433499

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.481757
• LogD (pH = 7.4): -2.1322215
• Log P: 0.54445165
• Molar Refractivity: 28.9616 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 0.563

Product Information

• Purity: 95%