hexadecan-1-amine

• ChemBase ID: 109092
• Molecular Formular: C16H35N
• Molecular Mass: 241.4558
• Monoisotopic Mass: 241.27695013
• SMILES: CCCCCCCCCCCCCCCCN
• Canonical SMILES: CCCCCCCCCCCCCCCCN
• InChI: InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
• InChIKey: FJLUATLTXUNBOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecan-1-amine
• IUPAC Traditional name: N-hexadecylamine
• Synonyms: CETYLAMINE; HAD; 1-Aminohexadecane; Cetylamine; Hexadecylamine; 1-Hexadecylamine; hexadecan-1-amine; 1-氨基十六烷; 鲸蜡胺; 十六胺; 1-十六胺

Database IDs

• CAS Number: 143-27-1
• EC Number: 205-596-8
• MDL Number: MFCD00008158
• Beilstein Number: 1634065
• PubChem SID: 24895794; 162094666; 24868173
• PubChem CID: 8926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.009276
• LogD (pH = 7.4): 3.4290524
• Log P: 6.033264
• Molar Refractivity: 79.0044 cm^3
• Polarizability: 31.812483 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 42-47°C; 43-45 °C(lit.); 46-48 °C
• Boiling Point: 144°C/2mm; 330 °C(lit.)
• Flash Point: 140 °C; 140°C(284°F); 284 °F
• Density: 0.813
• Refractive Index: 1.4496
• Vapor Pressure: <1 mmHg ( 20 °C)

Safety Information

• RTECS: ML9100000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3259; UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318; H314-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P310; P280-P303+P361+P353-P305+P351+P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2

Product Information

• Purity: ≥90% (GC); ≥99.0% (GC); 90%; 98%; tech. 90%, remainder mainly 1-octadecylamine
• Grade: puriss.; technical; technical grade
• Impurities: ~3% octadecylamine; ~3% tetradecylamine
• Linear Formula: CH3(CH2)15NH2

DETAILS

MP Biomedicals - 05209829

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H7408

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 445312

Packaging
5, 25 g in glass bottle