hex-5-ene-1,2-diamine dihydrochloride

• ChemBase ID: 236438
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: C(=C)CCC(N)CN.Cl.Cl
• Canonical SMILES: NCC(CCC=C)N.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-2-3-4-6(8)5-7;;/h2,6H,1,3-5,7-8H2;2*1H
• InChIKey: AZAZPJCXRJMXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hex-5-ene-1,2-diamine dihydrochloride
• IUPAC Traditional name: hex-5-ene-1,2-diamine dihydrochloride
• Synonyms: hex-5-ene-1,2-diamine dihydrochloride

Database IDs

• MDL Number: MFCD22369819
• PubChem SID: 164292348
• PubChem CID: 71755711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.5522084
• LogD (pH = 7.4): -2.4310179
• Log P: 0.10180409
• Molar Refractivity: 36.0575 cm^3
• Polarizability: 14.626801 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.61

Product Information

• Purity: 95%