2,2-dimethylcyclopropan-1-amine hydrochloride

• ChemBase ID: 262177
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1(C(C1)N)(C)C.Cl
• Canonical SMILES: NC1CC1(C)C.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-5(2)3-4(5)6;/h4H,3,6H2,1-2H3;1H
• InChIKey: LIVDXAAZXJCHPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2,2-dimethylcyclopropan-1-amine hydrochloride
• Synonyms: 2,2-dimethylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD13368193
• PubChem SID: 164318087
• PubChem CID: 47002150

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4237142
• LogD (pH = 7.4): -1.6761718
• Log P: 0.58307934
• Molar Refractivity: 25.9997 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 1.218

Product Information

• Purity: 95%