1-N,2-N-dimethylcyclohexane-1,2-diamine

• ChemBase ID: 68161
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(C(CCCC1)NC)NC
• Canonical SMILES: CNC1CCCCC1NC
• InChI: InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3
• InChIKey: JRHPOFJADXHYBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,2-N-dimethylcyclohexane-1,2-diamine
• IUPAC Traditional name: 1-N,2-N-dimethylcyclohexane-1,2-diamine
• Synonyms: N,N'-Dimethylcyclohexane-1,2-diamine; 1-N,2-N-dimethylcyclohexane-1,2-diamine; N1,N2-Dimethylcyclohexane-1,2-diamine

Database IDs

• CAS Number: 61798-24-1; 68173-05-7
• MDL Number: MFCD05664382
• PubChem SID: 162033893
• PubChem CID: 551074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.1429214
• LogD (pH = 7.4): -2.0264766
• Log P: 0.85718703
• Molar Refractivity: 43.5012 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.79

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%