1-N-(cyclohexylmethyl)benzene-1,2-diamine

• ChemBase ID: 238375
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N(c1c(N)cccc1)CC1CCCCC1
• Canonical SMILES: Nc1ccccc1NCC1CCCCC1
• InChI: InChI=1S/C13H20N2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10,14H2
• InChIKey: FICQMOBGRQIYAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-(cyclohexylmethyl)benzene-1,2-diamine
• IUPAC Traditional name: 1-N-(cyclohexylmethyl)benzene-1,2-diamine
• Synonyms: 1-N-(cyclohexylmethyl)benzene-1,2-diamine

Database IDs

• MDL Number: MFCD12166788
• PubChem SID: 164294285
• PubChem CID: 43371540

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4801204
• LogD (pH = 7.4): 2.7271113
• Log P: 2.7313812
• Molar Refractivity: 66.6972 cm^3
• Polarizability: 24.798134 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.064

Product Information

• Purity: 95%