didodecylamine

• ChemBase ID: 153082
• Molecular Formular: C24H51N
• Molecular Mass: 353.66844
• Monoisotopic Mass: 353.40215064
• SMILES: CCCCCCCCCCCCNCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCNCCCCCCCCCCCC
• InChI: InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
• InChIKey: MJCJUDJQDGGKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: didodecylamine
• IUPAC Traditional name: didodecylamine
• Synonyms: Didodecylamine; 双十二烷基胺

Database IDs

• CAS Number: 3007-31-6
• EC Number: 221-114-9
• MDL Number: MFCD00041918
• Beilstein Number: 1777050
• PubChem SID: 162247222; 24862848
• PubChem CID: 18157

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.330241
• LogD (pH = 7.4): 6.576357
• Log P: 9.568018
• Molar Refractivity: 116.0566 cm^3
• Polarizability: 46.588814 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 45-47 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC)
• Linear Formula: [CH3(CH2)11]2NH

DETAILS

Sigma Aldrich - 36784

Packaging
5 g in glass bottle