dodecyl(1-phenyldodecan-2-yl)amine

• ChemBase ID: 110707
• Molecular Formular: C30H55N
• Molecular Mass: 429.7644
• Monoisotopic Mass: 429.43345077
• SMILES: CCCCCCCCCCCCNC(CCCCCCCCCC)Cc1ccccc1
• Canonical SMILES: CCCCCCCCCCCCNC(Cc1ccccc1)CCCCCCCCCC
• InChI: InChI=1S/C30H55N/c1-3-5-7-9-11-13-14-16-18-23-27-31-30(28-29-24-20-19-21-25-29)26-22-17-15-12-10-8-6-4-2/h19-21,24-25,30-31H,3-18,22-23,26-28H2,1-2H3
• InChIKey: VJIWMEUCJKQNOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl(1-phenyldodecan-2-yl)amine
• IUPAC Traditional name: dodecyl(1-phenyldodecan-2-yl)amine
• Synonyms: N-BENZYL-1-UNDECYL DODECYL AMINE

Database IDs

• PubChem SID: 162106400
• PubChem CID: 44135399

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.9602685
• LogD (pH = 7.4): 8.275106
• Log P: 11.196351
• Molar Refractivity: 140.4934 cm^3
• Polarizability: 56.151676 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: YS1780000

DETAILS

MP Biomedicals - 05215994

MP Biomedicals Rare Chemical collection