octadec-9-en-1-amine

• ChemBase ID: 110930
• Molecular Formular: C18H37N
• Molecular Mass: 267.49308
• Monoisotopic Mass: 267.29260019
• SMILES: CCCCCCCC/C=C/CCCCCCCCN
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCCN
• InChI: InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3
• InChIKey: QGLWBTPVKHMVHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-9-en-1-amine
• IUPAC Traditional name: octadec-9-en-1-amine
• Synonyms: cis-1-Amino-9-octadecene; OLEYLAMINE TECHNICAL GRADE; Oleylamine; 9-十八烯胺; 油胺

Database IDs

• CAS Number: 112-90-3
• EC Number: 204-015-5
• MDL Number: MFCD00066507
• Beilstein Number: 1723960
• PubChem SID: 162096205; 24886819; 24898049
• PubChem CID: 6258392

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5364916
• LogD (pH = 7.4): 3.956268
• Log P: 6.5604796
• Molar Refractivity: 89.323 cm^3
• Polarizability: 35.276627 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 18-26 °C(lit.)
• Boiling Point: 348-350 °C(lit.)
• Flash Point: 154 °C; 309.2 °F
• Density: 0.813 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4596(lit.)
• Vapor Pressure: 8 mmHg ( 135 °C)

Safety Information

• RTECS: RG4130000
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-50/53
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H400
• GHS Precautionary statements: P273-P280-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 2735 8/PG 2

Product Information

• Purity: ~97% (NT); ≥70% (GC); 70%
• Grade: TECHNICAL; technical; technical grade
• Compostion: primary amine, >98%
• Linear Formula: CH3(CH2)7CH=CH(CH2)7CH2NH2

DETAILS

Sigma Aldrich - O7805

Packaging
5, 100, 500 g in glass bottle