5,6,7,8-tetrahydronaphthalene-1,2-diamine

• ChemBase ID: 243365
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c1(c2c(ccc1N)CCCC2)N
• Canonical SMILES: Nc1ccc2c(c1N)CCCC2
• InChI: InChI=1S/C10H14N2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6H,1-4,11-12H2
• InChIKey: DMVSZSMGOKMTDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalene-1,2-diamine
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalene-1,2-diamine
• Synonyms: 5,6,7,8-tetrahydronaphthalene-1,2-diamine

Database IDs

• MDL Number: MFCD18805052
• PubChem SID: 164299275
• PubChem CID: 13699068

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6704037
• LogD (pH = 7.4): 1.7662762
• Log P: 1.7676481
• Molar Refractivity: 52.941 cm^3
• Polarizability: 19.099262 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.66

Product Information

• Purity: 95%