1-(aminomethyl)-N,N-dimethylcyclohexan-1-amine dihydrochloride

• ChemBase ID: 143968
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: CN(C)C1(CCCCC1)CN.Cl.Cl
• Canonical SMILES: NCC1(CCCCC1)N(C)C.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-11(2)9(8-10)6-4-3-5-7-9;;/h3-8,10H2,1-2H3;2*1H
• InChIKey: IKCDZDXEAGHUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)-N,N-dimethylcyclohexan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(aminomethyl)-N,N-dimethylcyclohexan-1-amine dihydrochloride
• Synonyms: 1-(Aminomethyl)-N,N-dimethylcyclohexanamine dihydrochloride

Database IDs

• MDL Number: MFCD13031909
• PubChem SID: 162238185
• PubChem CID: 21409922

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7924259
• LogD (pH = 7.4): -1.603527
• Log P: 1.1162249
• Molar Refractivity: 48.8417 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H22Cl2N2

DETAILS

Sigma Aldrich - CBR00640

Other Notes
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Legal Information
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