1-(morpholin-4-yl)propan-2-ol

• ChemBase ID: 71913
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N1(CC(O)C)CCOCC1
• Canonical SMILES: CC(CN1CCOCC1)O
• InChI: InChI=1S/C7H15NO2/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3
• InChIKey: YAXQOLYGKLGQKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)propan-2-ol
• IUPAC Traditional name: 1-(morpholin-4-yl)propan-2-ol
• Synonyms: 1-Morpholin-4-ylpropan-2-ol; N-(β-HYDROXYPROPYL)MORPHOLINE; N-(2-Hydroxypropyl)morpholine; alpha-Methyl-4-morpholineethanol; 1-(4-Morpholinyl)-2-propanol; 1-(morpholin-4-yl)propan-2-ol; 1-(4-吗啡啉)-2-丙醇

Database IDs

• CAS Number: 2109-66-2
• EC Number: 218-298-8
• MDL Number: MFCD00023378
• Beilstein Number: 1443
• PubChem SID: 162037231
• PubChem CID: 97957

CALCULATED PROPERTIES

• Acid pKa: 15.287387
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2385662
• LogD (pH = 7.4): -0.62511086
• Log P: -0.30185798
• Molar Refractivity: 39.7737 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 218°C
• Flash Point: 92°C(197°F)
• Density: 1.020
• Refractive Index: 1.4635
• Hydrophobicity(logP): -0.099

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A

Product Information

• Purity: 95%; 98%