cyclobutane-1,3-diamine dihydrochloride

• ChemBase ID: 243285
• Molecular Formular: C4H12Cl2N2
• Molecular Mass: 159.05748
• Monoisotopic Mass: 158.03775375
• SMILES: C1C(CC1N)N.Cl.Cl
• Canonical SMILES: NC1CC(C1)N.Cl.Cl
• InChI: InChI=1S/C4H10N2.2ClH/c5-3-1-4(6)2-3;;/h3-4H,1-2,5-6H2;2*1H
• InChIKey: RYDYWFYSNPVRKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutane-1,3-diamine dihydrochloride
• IUPAC Traditional name: cyclobutane-1,3-diamine dihydrochloride
• Synonyms: cyclobutane-1,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD18089841
• PubChem SID: 164299195
• PubChem CID: 66510778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -7.1249156
• LogD (pH = 7.4): -5.2734942
• Log P: -1.354514
• Molar Refractivity: 24.9708 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): -1.738

Product Information

• Purity: 95%