N,N-dimethylcyclohexanamine

• ChemBase ID: 107328
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: CN(C)C1CCCCC1
• Canonical SMILES: CN(C1CCCCC1)C
• InChI: InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
• InChIKey: SVYKKECYCPFKGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylcyclohexanamine
• IUPAC Traditional name: dimethylcyclohexylamine
• Synonyms: N,N-DIMETHYLCYCLOHEXYLAMINE; Cyclohexyldimethylamine; Dimethylaminocyclohexane; N,N-Dimethylcyclohexylamine; N,N-Dimethylcyclohexanamine; U - Benz[a]anthracene solution; 二甲氨基环己烷; 环己基二甲胺; N,N-二甲基环己胺; 苯并[A]蒽 溶液; 苯并[a]蒽 溶液

Database IDs

• CAS Number: 98-94-2; 56-55-3
• EC Number: 202-715-5
• MDL Number: MFCD00003844
• Beilstein Number: 1919922
• PubChem SID: 162094549; 24864943; 24857479
• PubChem CID: 7415

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4863254
• LogD (pH = 7.4): -0.7469409
• Log P: 1.98944
• Molar Refractivity: 41.0023 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60°C; -60°C
• Boiling Point: 158-159 °C(lit.); 160-161°C; 162°C
• Flash Point: 102.2 °F; 39 °C; 39°C(102°F)
• Auto Ignition Point: 419 °F
• Density: 0.849; 0.849 g/mL at 25 °C(lit.); 0.85 g/ml
• Refractive Index: 1.4540; n20/D 1.454; n20/D 1.454(lit.)
• Vapor Pressure: 3.6 mmHg ( 20 °C)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: GX1198000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 2264; UN2264
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-20/21/22-34-50/53; 10-22-23/24-34-50/53; R:10-22
• Safety Statements: 23-26-27-36/37/39-45-57; 26-28-36/37/39-45-61; S:9-16-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H311-H314-H330-H400; H310-H330-H302-H314-H318-H226-H400-H410
• GHS Precautionary statements: P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P260-P273-P280-P284-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 2264 8/PG 2

Product Information

• Purity: ≥98.0%; ≥99.0% (GC); 95+%; 98+%; 99%
• Grade: purum; SAJ special grade
• Linear Formula: C6H11N(CH3)2

DETAILS

MP Biomedicals - 05203343

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 290629

Packaging
1 L in glass bottle
25 mL in glass bottle