(1R,2R)-cycloheptane-1,2-diamine dihydrochloride

• ChemBase ID: 246018
• Molecular Formular: C7H18Cl2N2
• Molecular Mass: 201.13722
• Monoisotopic Mass: 200.08470395
• SMILES: [C@@H]1([C@H](N)CCCCC1)N.Cl.Cl
• Canonical SMILES: N[C@@H]1CCCCC[C@H]1N.Cl.Cl
• InChI: InChI=1S/C7H16N2.2ClH/c8-6-4-2-1-3-5-7(6)9;;/h6-7H,1-5,8-9H2;2*1H/t6-,7-;;/m1../s1
• InChIKey: UJOOFCPCSYHQAX-GPJOBVNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-cycloheptane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (1R,2R)-cycloheptane-1,2-diamine dihydrochloride
• Synonyms: (1R,2R)-cycloheptane-1,2-diamine dihydrochloride

Database IDs

• MDL Number: MFCD23144197
• PubChem SID: 164301928
• PubChem CID: 71757855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4113717
• LogD (pH = 7.4): -2.2937586
• Log P: 0.43659493
• Molar Refractivity: 38.553 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.061

Product Information

• Purity: 95%