N-cyclohexyl-N-ethylcyclohexanamine

• ChemBase ID: 149939
• Molecular Formular: C14H27N
• Molecular Mass: 209.37088
• Monoisotopic Mass: 209.21434987
• SMILES: CCN(C1CCCCC1)C1CCCCC1
• Canonical SMILES: CCN(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C14H27N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
• InChIKey: XRKQMIFKHDXFNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-ethylcyclohexanamine
• IUPAC Traditional name: N-cyclohexyl-N-ethylcyclohexanamine
• Synonyms: N,N-Dicyclohexylethylamine; N-Ethyldicyclohexylamine; N-Cyclohexyl-N-ethylcyclohexanaMine; N,N-二环己基乙胺; N-乙基二环己胺

Database IDs

• CAS Number: 7175-49-7
• EC Number: 230-534-1
• MDL Number: MFCD00003846
• Beilstein Number: 2240256
• PubChem SID: 162244101; 24858555
• PubChem CID: 23563

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6454974
• LogD (pH = 7.4): 0.74151105
• Log P: 4.1455183
• Molar Refractivity: 66.7651 cm^3
• Polarizability: 26.631351 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114-115 °C/3 mmHg(lit.)
• Flash Point: 194 °F; 90 °C
• Density: 0.91 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.485(lit.)

Safety Information

• RTECS: HY4150000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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: 96%; 97%; 98%
• Linear Formula: (C6H11)2NC2H5

DETAILS

Sigma Aldrich - 307017

Packaging
25 g in glass bottle