cyclohexanamine

• ChemBase ID: 103147
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: NC1CCCCC1
• Canonical SMILES: NC1CCCCC1
• InChI: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
• InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanamine
• IUPAC Traditional name: cyclohexylamine
• Synonyms: Cyclohexylamine; Aminocyclohexane; Aminocylcohexane; Aminohexahydrobenzene; Cyclohexanamine; Hexahydroaniline; Hexahydrobenzenamine; CYCLOHEXYLAMINE; 氨基环己烷; 环己胺

Database IDs

• CAS Number: 108-91-8
• EC Number: 203-629-0
• MDL Number: MFCD00001486
• Beilstein Number: 471175
• Merck Index: 142729
• PubChem SID: 162090692; 24891956; 24854426
• PubChem CID: 7965
• CHEBI ID: 15773
• Chemspider ID: 7677
• KEGG ID: C00571
• Unique Ingredient Identifier: I6GH4W7AEG
• Wikipedia Title: Cyclohexylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8541405
• LogD (pH = 7.4): -1.5693852
• Log P: 1.1738117
• Molar Refractivity: 30.933 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: clear to yellowish liquid
• Melting Point: -17 °C(lit.); -17.7°C; -18 °C; -18°C
• Boiling Point: 133-134°C; 134 °C at 1013 hPa; 134 °C(lit.); 134.5°C
• Flash Point: 26 °C (closed cup); 27 °C; 27°C(81°F); 28.6 °C; 80.6 °F
• Auto Ignition Point: 265 °C; 559 °F
• Density: .819 g/cm^3 at 20 °C; 0.8647 g/cc; 0.867 g/mL at 25 °C(lit.); 0.868
• Refractive Index: 1.4585; n20/D 1.459; n20/D 1.459(lit.); n20/D 1.460
• Vapor Pressure: 10 mmHg ( 22 °C); 14 hPa at 20 °C; 23 mmHg ( 37.7 °C)
• Vapor Density: 3.4 (air = 1); 3.42 (vs air)
• pKa: 10.64

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive
• RTECS: GX0700000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2357; UN2357
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 2W
• Risk Statements: 10-21/22-34-62; R:10-21/22-34
• Safety Statements: 1/2-26-36/37/39-45; 26-36/37/39-45; S:45-36/37/39; S36 S37 S39
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  3

  3

  0
• GHS Hazard statements: H226-H302-H312-H314-H361f; H314-H226-H361-H302-H312
• GHS Precautionary statements: P210-P241-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 2357 8/PG 2

Product Information

• Purity: ≥99%; ≥99.0% (GC); ≥99.5% (GC); 98+%; 98-99%; 99%
• Grade: puriss.; purum; ReagentPlus®
• Impurities: ≤2% water
• Linear Formula: C6H11NH2

DETAILS

MP Biomedicals - 02150745

Free Base
Purity: 98-99%
1 ml = 0.87 g

Sigma Aldrich - C104655

Packaging
1 L in glass bottle
18 L in steel drum
250 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 240648

Packaging
5, 100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

• For protection of an aldehyde as its cyclohexyl imine, see, e.g.: Org. Synth. Coll., 8, 586 (1993). Cyclohexyl imines of aldehydes have found use in the directed aldol synthesis: reaction with a less reactive ketone takes place in preference to self-condensation of the aldehyde. See, e.g.: Org. Synth. Coll., 6, 901 (1988):