(azidomethyl)cyclohexane

• ChemBase ID: 242459
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: [N+](=[N-])=NCC1CCCCC1
• Canonical SMILES: [N-]=[N+]=NCC1CCCCC1
• InChI: InChI=1S/C7H13N3/c8-10-9-6-7-4-2-1-3-5-7/h7H,1-6H2
• InChIKey: SVXPKXPIBAQFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (azidomethyl)cyclohexane
• IUPAC Traditional name: (azidomethyl)cyclohexane
• Synonyms: (azidomethyl)cyclohexane

Database IDs

• MDL Number: MFCD14652277
• PubChem SID: 164298369
• PubChem CID: 12181174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.302005
• LogD (pH = 7.4): 2.302005
• Log P: 2.4160507
• Molar Refractivity: 40.2988 cm^3
• Polarizability: 15.153317 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.146

Product Information

• Purity: 95%