octan-1-amine

• ChemBase ID: 74472
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: NCCCCCCCC
• Canonical SMILES: CCCCCCCCN
• InChI: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
• InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octan-1-amine
• IUPAC Traditional name: octylamine
• Synonyms: 1-Octylamine; 1-Octylamine; n-OCTYLAMINE; n-Octylamine; Caprylamine; Octylamine; 1-Aminooctane; Octylamine; 1-辛胺; 1-氨基辛烷; 正辛胺; 辛基胺; 辛胺

Database IDs

• CAS Number: 111-86-4
• EC Number: 203-916-0
• MDL Number: MFCD00008247
• Beilstein Number: 1679227
• PubChem SID: 24898026; 162039391; 24886765; 24886764
• PubChem CID: 8143

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5472734
• LogD (pH = 7.4): -0.12749687
• Log P: 2.4767148
• Molar Refractivity: 42.1964 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -1°C; -5 to -1°C; -5--1 °C(lit.)
• Boiling Point: 170-179°C; 175-177 °C(lit.); 176°C; 178-179°C
• Flash Point: 140 °F; 60 °C; 62°C; 62°C(144°F)
• Density: 0.780; 0.782 g/mL at 25 °C(lit.); 1.05 g/ml
• Refractive Index: 1.4290; n20/D 1.429; n20/D 1.429(lit.); n20/D 1.430
• Vapor Pressure: 1 mm Hg @ 20°C; 1 mmHg ( 20 °C)
• Transition Temperature: solidification point -1-1 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful/Corrosive
• RTECS: RG8050000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Toxic (T); X
• UN Number: 2734; 2922; UN2735
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 2; II
• Australian Hazchem: 2XE
• Risk Statements: 20/21/22-34-50; 20/21/22-35-50; R:22-34
• Safety Statements: 26-36/37/39-45-61; 9-20-23-26-36/37/39-45-57; S:26-27/28-36/37/39-46-64
• EU Classification: CT1
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302 + H312 + H332-H314-H400; H301-H311-H332-H314-H318-H400-H227
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P273-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 2734 8/PG 2

Product Information

• Purity: ≥98.0% (GC); ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 99%
• Grade: analytical standard; puriss.; purum
• Impurities: ≤0.2% water
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)7NH2

DETAILS

MP Biomedicals - 02155979

(1-Octylamine; 1-Aminooctane) 1 ml = approx. 0.78 g

Sigma Aldrich - O5802

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 74988

Packaging
5 mL in glass bottle