cyclooctanamine

• ChemBase ID: 109400
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: NC1CCCCCCC1
• Canonical SMILES: NC1CCCCCCC1
• InChI: InChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2
• InChIKey: HSOHBWMXECKEKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclooctanamine
• IUPAC Traditional name: cyclooctanamine
• Synonyms: CYCLOOCTYLAMINE; Aminocyclooctane; Cyclooctylamine; 氨基环辛烷; 环辛胺

Database IDs

• CAS Number: 5452-37-9
• EC Number: 226-694-7
• MDL Number: MFCD00001748
• Beilstein Number: 2689120
• PubChem SID: 24892346; 162096244
• PubChem CID: 2903

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.96500325
• LogD (pH = 7.4): -0.6802478
• Log P: 2.062949
• Molar Refractivity: 40.135 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -48 °C(lit.); -48°C
• Boiling Point: 189-190°C; 190 °C(lit.)
• Flash Point: 145.4 °F; 62°C(143°F); 63 °C
• Density: 0.912; 0.928 g/mL at 25 °C(lit.)
• Refractive Index: 1.4810; n20/D 1.482; n20/D 1.482(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: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-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: ≥98.0% (GC); 97%; 97+%
• Grade: purum
• Linear Formula: C8H15NH2

DETAILS

MP Biomedicals - 05210877

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C110604

Packaging
25, 100 g in glass bottle