N-cyclohexylhydroxylamine

• ChemBase ID: 142011
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1CCC(CC1)NO
• Canonical SMILES: ONC1CCCCC1
• InChI: InChI=1S/C6H13NO/c8-7-6-4-2-1-3-5-6/h6-8H,1-5H2
• InChIKey: GUQRKZPMVLRXLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylhydroxylamine
• IUPAC Traditional name: N-cyclohexylhydroxylamine
• Synonyms: N-Hydroxycyclohexanamine; N-Hydroxycyclohexylamine; N-Cyclohexylhydroxylamine; N-环己基羟基胺

Database IDs

• CAS Number: 2211-64-5
• EC Number: 218-650-0
• MDL Number: MFCD00021287
• PubChem SID: 162236243; 24882743
• PubChem CID: 72935

CALCULATED PROPERTIES

• Acid pKa: 15.643175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0799475
• LogD (pH = 7.4): 1.279213
• Log P: 1.2824502
• Molar Refractivity: 43.1904 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139-140 °C(lit.)

Safety Information

• RTECS: NC3410400
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Linear Formula: C6H11NHOH

DETAILS

Sigma Aldrich - 635936

Packaging
1 g in glass bottle
Application
Reactant for:
• Aldehyde-catalyzed intermolecular hydroamination1
• Condensation reactions2
• Preparation of cyclin-dependent kinase inhibitors selective for multiple cyclin-dependent kinases for potential use as antitumor agents3
• Preparation of hydroxyurea derivatives as small molecule bradykinin B1 receptor antagonists4