dimethyl(tridecyl)amine

• ChemBase ID: 152644
• Molecular Formular: C15H33N
• Molecular Mass: 227.42922
• Monoisotopic Mass: 227.26130006
• SMILES: CCCCCCCCCCCCCN(C)C
• Canonical SMILES: CCCCCCCCCCCCCN(C)C
• InChI: InChI=1S/C15H33N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h4-15H2,1-3H3
• InChIKey: ADXNPXDFKKWVGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(tridecyl)amine
• IUPAC Traditional name: dimethyl(tridecyl)amine
• Synonyms: 1-(Dimethylamino)tridecane; N,N-Dimethyltridecylamine; 1-(二甲氨基)十三烷; N,N-二甲基十三烷胺

Database IDs

• CAS Number: 17373-29-4
• EC Number: 241-410-1
• MDL Number: MFCD00077747
• Beilstein Number: 2234660
• PubChem SID: 24866119; 162246788
• PubChem CID: 87084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.079197
• LogD (pH = 7.4): 3.1555088
• Log P: 5.5151863
• Molar Refractivity: 75.2707 cm^3
• Polarizability: 29.96544 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 64-65 °C/0.15 mmHg(lit.)
• Flash Point: 109 °C; 228.2 °F
• Density: 0.792 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.439

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 38
• Safety Statements: 23-24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0%
• Linear Formula: CH3(CH2)12N(CH3)2

DETAILS

Sigma Aldrich - 41710

Packaging
10 mL in glass bottle