octadecan-1-amine

• ChemBase ID: 105981
• Molecular Formular: C18H39N
• Molecular Mass: 269.50896
• Monoisotopic Mass: 269.30825025
• SMILES: CCCCCCCCCCCCCCCCCCN
• Canonical SMILES: CCCCCCCCCCCCCCCCCCN
• InChI: InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
• InChIKey: REYJJPSVUYRZGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecan-1-amine
• IUPAC Traditional name: octadecylamine
• Synonyms: Stearylamine; Octadecylamine; Octadecylamine; 1-Aminooctadecane; STEARYLAMINE; 1-Octadecylamine; 1-氨基十八烷; 硬脂胺; 十八烷基胺; 1-十八胺

Database IDs

• CAS Number: 124-30-1
• EC Number: 204-695-3
• MDL Number: MFCD00008159
• Beilstein Number: 636111
• PubChem SID: 24858428; 24897943; 162086868; 24886720
• PubChem CID: 15793

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8984132
• LogD (pH = 7.4): 4.3181896
• Log P: 6.9224014
• Molar Refractivity: 88.2064 cm^3
• Polarizability: 35.506565 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 50-52 °C(lit.); 50-53 °C; 52.9 °C; 52-55 °C; 53-55°C
• Boiling Point: 180-183°C/5mm; 232 °C/32 mmHg(lit.); 348.8 °C at 1013 hPa
• Flash Point: > 150 °C (open cup and DIN ISO 2592); 148 °C; 148°C(298°F); 298.4 °F
• Density: .86 g/cm^3 at 20 °C; 0.862
• Vapor Pressure: .000012 hPa at 20 °C; 10 mmHg ( 72 °C)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: RG4150000
• European Hazard Symbols: Corrosive (C); X; Irritant (Xi)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: II
• Australian Hazchem: 2X
• Risk Statements: 22-36/37/38; 36/37/38; R:34
• Safety Statements: 26-36; 26-36/37; S:26-27/28-36/37/39-46-64
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~90%; ≥90% (GC); ≥99.0% (GC); 90%; 97%; 98%
• Grade: technical; technical grade
• Impurities: ≤10% hexadecylamine; C16 and C17 homologs, balance
• Linear Formula: CH3(CH2)17NH2

DETAILS

MP Biomedicals - 02195508

Crystalline
Purity: ~90% .
Remainder mainly C₁₆ and C₁₇ homologs. Used as a spacer in affinity chromatography.

Sigma Aldrich - 305391

Packaging
25, 100 g in glass bottle

Sigma Aldrich - O1408

Packaging
3 kg in poly drum
500 g in glass bottle

Sigma Aldrich - 74750

Packaging
25, 100 g in glass bottle

REFERENCES

• Biochim. Biophys. Acta , 356 : 309, (1974).