azacyclotridecane

• ChemBase ID: 71906
• Molecular Formular: C12H25N
• Molecular Mass: 183.3336
• Monoisotopic Mass: 183.19869981
• SMILES: C1CCCCCCNCCCCC1
• Canonical SMILES: C1CCCCCCCNCCCC1
• InChI: InChI=1S/C12H25N/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h13H,1-12H2
• InChIKey: UFADJPZTTUWZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azacyclotridecane
• IUPAC Traditional name: azacyclotridecane
• Synonyms: Azacyclotridecane

Database IDs

• CAS Number: 295-03-4
• MDL Number: MFCD00022324
• PubChem SID: 162037229
• PubChem CID: 67523

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.53169113
• LogD (pH = 7.4): 0.77780694
• Log P: 3.7694683
• Molar Refractivity: 59.0424 cm^3
• Polarizability: 23.680191 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT