spiro[3.3]heptane-2,6-diamine dihydrochloride

• ChemBase ID: 281170
• Molecular Formular: C7H16Cl2N2
• Molecular Mass: 199.12134
• Monoisotopic Mass: 198.06905388
• SMILES: C12(CC(C1)N)CC(C2)N.Cl.Cl
• Canonical SMILES: NC1CC2(C1)CC(C2)N.Cl.Cl
• InChI: InChI=1S/C7H14N2.2ClH/c8-5-1-7(2-5)3-6(9)4-7;;/h5-6H,1-4,8-9H2;2*1H
• InChIKey: LEEAKLAUQJIGMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[3.3]heptane-2,6-diamine dihydrochloride
• IUPAC Traditional name: spiro[3.3]heptane-2,6-diamine dihydrochloride
• Synonyms: 6-aminospiro[3.3]hept-2-ylamine dihydrochloride

Database IDs

• MDL Number: MFCD11099887
• PubChem SID: 180666701
• PubChem CID: 43810934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.6893625
• LogD (pH = 7.4): -5.8607984
• Log P: -0.641017
• Molar Refractivity: 36.8805 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.865

Product Information

• Purity: 95%
• Salt Data: 2HCl