tridodecylamine hydrochloride

• ChemBase ID: 157377
• Molecular Formular: C36H76ClN
• Molecular Mass: 558.44834
• Monoisotopic Mass: 557.56662912
• SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.Cl
• Canonical SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.Cl
• InChI: InChI=1S/C36H75N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;/h4-36H2,1-3H3;1H
• InChIKey: GPQCSCQDQNXQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridodecylamine hydrochloride
• IUPAC Traditional name: tridodecylamine hydrochloride
• Synonyms: Tridodecylammonium chloride; Trilaurylammonium chloride; Tridodecylamine hydrochloride; 三(十二烷基)氯化铵; 三月桂基氯化铵; 三(十二烷基)胺 盐酸盐

Database IDs

• CAS Number: 2486-89-7
• MDL Number: MFCD00137135
• PubChem SID: 162251514
• PubChem CID: 9807837

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 11.336615
• LogD (pH = 7.4): 11.671769
• Log P: 14.831514
• Molar Refractivity: 172.0329 cm^3
• Polarizability: 68.75331 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 33
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT)
• Grade: Selectophore™
• Empirical Formula (Hill Notation): C36H75N· HCl

DETAILS

Sigma Aldrich - 43538

General description
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Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH