[1-(morpholin-4-yl)cyclohexyl]methanamine

• ChemBase ID: 16978
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: C1(N2CCOCC2)(CCCCC1)CN
• Canonical SMILES: NCC1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C11H22N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
• InChIKey: MCIDPQNLGSHVEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(morpholin-4-yl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(morpholin-4-yl)cyclohexyl]methanamine
• Synonyms: 1-(1-morpholin-4-ylcyclohexyl)methanamine; (1-morpholinocyclohexyl)methanamine; 1-(4-Morpholino)cyclohexanemethylamine; 1-(4-Morpholinyl)cyclohexanemethylamine; C-(1-Morpholin-4-yl-cyclohexyl)-methylamine; (1-morpholin-4-ylcyclohexyl)methylamine; 1-(4-吗啉环己基)甲胺

Database IDs

• CAS Number: 64269-03-0
• MDL Number: MFCD05201344
• PubChem SID: 160980285
• PubChem CID: 3157486

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0391004
• LogD (pH = 7.4): -1.1732545
• Log P: 0.89772445
• Molar Refractivity: 57.9162 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 25°C
• Hydrophobicity(logP): 1.6

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 98%