N-ethylcyclohexanamine

• ChemBase ID: 69840
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N(C1CCCCC1)CC
• Canonical SMILES: CCNC1CCCCC1
• InChI: InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
• InChIKey: AGVKXDPPPSLISR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylcyclohexanamine
• IUPAC Traditional name: cyclohexanamine, N-ethyl-
• Synonyms: N-Cyclohexylethylamine; N-Ethylcyclohexylamine; N-Ethylcyclohexylamine; N-环己基乙胺; N-乙基环己胺

Database IDs

• CAS Number: 5459-93-8
• EC Number: 226-733-8
• MDL Number: MFCD00003834
• Beilstein Number: 2070280
• PubChem SID: 24897388; 24845454; 162035565; 24857205
• PubChem CID: 21609

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2748971
• LogD (pH = 7.4): -1.0431077
• Log P: 1.9632
• Molar Refractivity: 40.4562 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 163-166°C; 165 °C(lit.); 165°C
• Flash Point: 113 °F; 45 °C; 45°C(113°F)
• Auto Ignition Point: 473 °F
• Density: 0.844 g/ml; 0.844 g/mL at 25 °C(lit.); 0.850
• Refractive Index: 1.4520; n20/D 1.452; n20/D 1.452(lit.)
• Vapor Pressure: 2 mmHg ( 20 °C)
• Vapor Density: 4.4 (vs air)

Safety Information

• Storage Warning: IRRITANT
• RTECS: GX1225000
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-20/21/22-34; 10-20/21/22-35; R:10-22-27
• Safety Statements: 26-36/37/39-45; S:16-36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• Explode Limits: 7.6 %
• GHS Hazard statements: H226-H302-H311-H314-H332; H301-H311-H332-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-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 2734 8/PG 2

Product Information

• Purity: ≥98.0% (GC); 95+%; 97%; 98%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Linear Formula: C6H11NHC2H5

DETAILS

MP Biomedicals - 05203204

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 289612

Packaging
25, 500 mL in glass bottle