N-cyclohexylcyclohexanamine

• ChemBase ID: 103187
• Molecular Formular: C12H23N
• Molecular Mass: 181.31772
• Monoisotopic Mass: 181.18304974
• SMILES: C1CCC(CC1)NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NC1CCCCC1
• InChI: InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
• InChIKey: XBPCUCUWBYBCDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylcyclohexanamine
• IUPAC Traditional name: dicha
• Synonyms: Dicyclohexylamine; N-Cyclohexylcyclohexanamine; DCHA; Di-CHA; N,N-Dicyclohexylamine; Dodecahydrodiphenylamine; DICYCLOHEXYLAMINE; 二环己胺

Database IDs

• CAS Number: 101-83-7
• EC Number: 202-980-7
• MDL Number: MFCD00011658
• Beilstein Number: 605923
• Merck Index: 143095
• PubChem SID: 24862627; 24851183; 24862638; 162090327; 24867910
• PubChem CID: 7582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.16547571
• LogD (pH = 7.4): 0.28951243
• Log P: 3.4056625
• Molar Refractivity: 56.7218 cm^3
• Polarizability: 22.937813 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -.1 °C; -1°C; -2 °C(lit.); -2°C
• Boiling Point: 117-120 °C/10 mmHg; 255.8 °C at 1013 hPa; 255.8°C; 256 °C(lit.); 256°C
• Flash Point: 106 °C (closed cup); 204.8 °F; 96 °C; 99°C(210°F)
• Density: .91 g/cm^3 at 25 °C; 0.91 g/ml; 0.912 g/mL at 20 °C(lit.); 0.913
• Refractive Index: 1.4842; n20/D 1.484; n20/D 1.484(lit.)
• Vapor Pressure: 1 hPa at 65 °C; 12 mmHg ( 37.7 °C)
• Vapor Density: 6 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive
• RTECS: HY4025000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); X
• UN Number: 2565; UN2565
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Australian Hazchem: 3X
• Risk Statements: 22-34-50/53; R:22-34-50/53
• Safety Statements: 1/2-26-36/37/39-45-60-61; 26-36/37/39-45-60-61; S:26-45-60-61-36/37/39
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H410; H314-H400-H410-H302
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P273-P280-P305 + P351 + P338-P310-P501
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2565 8/PG 3

Product Information

• Purity: >99%; ≥98.0% (GC); ≥99.5% (GC); 98%; 99%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Quality: for titrimetric determination of isocyanates
• Linear Formula: (C6H11)2NH

DETAILS

MP Biomedicals - 05211894

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150877

Purity: >99%
Reagent for preparation of crystalline amino acid salts.
1 ml = approx. 0.91 g

Sigma Aldrich - 185841

Packaging
2, 3 kg in glass bottle
5, 100, 500 g in glass bottle

REFERENCES

• Reacts with n-BuLi to give a hindered strong base; cf LDA (see Diisopropylamine, A10280), which has been used to promote, e.g. the ɑ -carboethoxylation of ketones; see Diethyl dicarbonate, B22753.
• Forms highly crystalline salts with N-protected amino acids: Liebigs Ann. Chem., 640, 157 (1961).