N-methylcyclodecanamine

• ChemBase ID: 52879
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: C1CCCCCCC(CC1)NC
• Canonical SMILES: CNC1CCCCCCCCC1
• InChI: InChI=1S/C11H23N/c1-12-11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3
• InChIKey: BOYGZZJDNIMQTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclodecanamine
• IUPAC Traditional name: N-methylcyclodecanamine
• Synonyms: N-Methylcyclodecanamine

Database IDs

• CAS Number: 80789-66-8
• MDL Number: MFCD00003712
• PubChem SID: 162057642
• PubChem CID: 96878

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.14683682
• LogD (pH = 7.4): 0.3906242
• Log P: 3.3846667
• Molar Refractivity: 54.1116 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%