2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

• ChemBase ID: 276161
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: C1(C(CCc2c1cccc2)N(C)C)N
• Canonical SMILES: CN(C1CCc2c(C1N)cccc2)C
• InChI: InChI=1S/C12H18N2/c1-14(2)11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-12H,7-8,13H2,1-2H3
• InChIKey: HJAPAZGVMSKZEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
• IUPAC Traditional name: 2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
• Synonyms: 2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

Database IDs

• MDL Number: MFCD11172937
• PubChem SID: 164332071
• PubChem CID: 43211378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6475172
• LogD (pH = 7.4): -0.28122184
• Log P: 1.7216501
• Molar Refractivity: 59.8015 cm^3
• Polarizability: 23.670464 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.729

Product Information

• Purity: 95%