1-methylazepane

• ChemBase ID: 112662
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: CN1CCCCCC1
• Canonical SMILES: CN1CCCCCC1
• InChI: InChI=1S/C7H15N/c1-8-6-4-2-3-5-7-8/h2-7H2,1H3
• InChIKey: ZKUKXSWKWGHYKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylazepane
• IUPAC Traditional name: 1-methylazepane
• Synonyms: N-METHYL HEXAMETHYLENEIMINE

Database IDs

• CAS Number: 7500-14-3
• PubChem SID: 162098240
• PubChem CID: 70940

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.9882075
• LogD (pH = 7.4): -1.2171487
• Log P: 1.4851042
• Molar Refractivity: 36.7311 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225216

MP Biomedicals Rare Chemical collection