[1-(pyridin-4-yl)cyclopropyl]methanamine dihydrochloride

• ChemBase ID: 244983
• Molecular Formular: C9H14Cl2N2
• Molecular Mass: 221.12686
• Monoisotopic Mass: 220.05340382
• SMILES: C1(CC1)(c1ccncc1)CN.Cl.Cl
• Canonical SMILES: NCC1(CC1)c1ccncc1.Cl.Cl
• InChI: InChI=1S/C9H12N2.2ClH/c10-7-9(3-4-9)8-1-5-11-6-2-8;;/h1-2,5-6H,3-4,7,10H2;2*1H
• InChIKey: VHJSWZNOYORTSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyridin-4-yl)cyclopropyl]methanamine dihydrochloride
• IUPAC Traditional name: [1-(pyridin-4-yl)cyclopropyl]methanamine dihydrochloride
• Synonyms: [1-(pyridin-4-yl)cyclopropyl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD09864785
• PubChem SID: 164300893
• PubChem CID: 71757634

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7096658
• LogD (pH = 7.4): -1.5454777
• Log P: 0.44925082
• Molar Refractivity: 44.197 cm^3
• Polarizability: 17.524302 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.37

Product Information

• Purity: 95%