N,N-didodecylaniline

• ChemBase ID: 109685
• Molecular Formular: C30H55N
• Molecular Mass: 429.7644
• Monoisotopic Mass: 429.43345077
• SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccccc1
• Canonical SMILES: CCCCCCCCCCCCN(c1ccccc1)CCCCCCCCCCCC
• InChI: InChI=1S/C30H55N/c1-3-5-7-9-11-13-15-17-19-24-28-31(30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27H,3-20,24-25,28-29H2,1-2H3
• InChIKey: XJEPUDKDCKLTSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-didodecylaniline
• IUPAC Traditional name: N,N-didodecylaniline
• Synonyms: N,N-DI-n-DECYLANILINE

Database IDs

• CAS Number: 4960-25-2
• PubChem SID: 162095180
• PubChem CID: 4671051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 11.115142
• LogD (pH = 7.4): 11.819033
• Log P: 11.842186
• Molar Refractivity: 141.8498 cm^3
• Polarizability: 55.82486 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05212197

MP Biomedicals Rare Chemical collection