dodecyl(methyl)amine

• ChemBase ID: 147235
• Molecular Formular: C13H29N
• Molecular Mass: 199.37606
• Monoisotopic Mass: 199.22999993
• SMILES: CCCCCCCCCCCCNC
• Canonical SMILES: CCCCCCCCCCCCNC
• InChI: InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3
• InChIKey: OMEMQVZNTDHENJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl(methyl)amine
• IUPAC Traditional name: dodecyl(methyl)amine
• Synonyms: N-Methyldodecylamine; N-Laurylmethylamine; N-Methyldodecylamine; N-Dodecylmethylamine; N-十二烷基甲胺

Database IDs

• CAS Number: 7311-30-0
• EC Number: 230-771-0
• MDL Number: MFCD00026574
• Beilstein Number: 1739959
• PubChem SID: 24869778; 162241426
• PubChem CID: 81746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4523336
• LogD (pH = 7.4): 1.7977093
• Log P: 4.68757
• Molar Refractivity: 65.375 cm^3
• Polarizability: 26.27136 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 200 °C(lit.); 90-92°C/0.9mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.795; 0.795 g/mL at 25 °C(lit.)
• Refractive Index: 1.4395; n20/D 1.44(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45; 26-27-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: 97%; 98%
• Linear Formula: CH3(CH2)11NHCH3

DETAILS

Sigma Aldrich - 460958

Packaging
1, 5 g in glass bottle