N-cyclohexyl-N-lithiocyclohexanamine

• ChemBase ID: 139032
• Molecular Formular: C12H22LiN
• Molecular Mass: 187.25078
• Monoisotopic Mass: 187.19122926
• SMILES: [Li]N(C1CCCCC1)C1CCCCC1
• Canonical SMILES: [Li]N(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C12H22N.Li/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-12H,1-10H2;/q-1;+1
• InChIKey: HTZGVHYSMVGNOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-lithiocyclohexanamine
• IUPAC Traditional name: N-cyclohexyl-N-lithiocyclohexanamine
• Synonyms: Lithium dicyclohexylamide; 二环己基酰胺锂

Database IDs

• CAS Number: 4111-55-1
• EC Number: 223-894-6
• MDL Number: MFCD00064519
• PubChem SID: 162233283; 24858167
• PubChem CID: 10932176

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5579317
• LogD (pH = 7.4): 2.8418288
• Log P: 2.9584
• Molar Refractivity: 55.9218 cm^3
• Polarizability: 24.099846 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3393
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-34
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H261-H314
• GHS Precautionary statements: P222-P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3393 4.2/PG 1

Product Information

• Purity: 97%
• Linear Formula: (C6H11)2NLi

DETAILS

Sigma Aldrich - 301124

Packaging
25, 100 g in glass bottle