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

• ChemBase ID: 70740
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N1(CCOCC1)CCCO
• Canonical SMILES: OCCCN1CCOCC1
• InChI: InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
• InChIKey: VZKSLWJLGAGPIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)propan-1-ol
• IUPAC Traditional name: 3-(morpholin-4-yl)propan-1-ol
• Synonyms: 4-(3-Hydroxypropyl)morpholine; 4-(3-Hydroxypropyl)morpholine; 3-(4-Morpholinyl)-1-propanol; 3-(morpholin-4-yl)propan-1-ol; 3-(4-Morpholinyl)-1-propanol; 3-Morpholinopropanol; 4-(3-Hydroxypropyl)morpholine; 3-(4-吗啉)-1-丙醇; 3-吗啉代-1-丙醇; 4-(3-羟丙基)吗啉

Database IDs

• CAS Number: 4441-30-9
• MDL Number: MFCD01713533
• PubChem SID: 24880358; 162036453
• PubChem CID: 199576

CALCULATED PROPERTIES

• Acid pKa: 15.93337
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5582066
• LogD (pH = 7.4): -0.96198934
• Log P: -0.65847325
• Molar Refractivity: 40.2203 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 240-241 °C(lit.); 240-241°C
• Flash Point: 185 °F; 85 °C; 85°C(185°F)
• Density: 1.049; 1.049 g/mL at 25 °C(lit.)
• Refractive Index: 1.4770; n20/D 1.4770(lit.)
• Hydrophobicity(logP): -0.186

Safety Information

• Storage Warning: IRRITANT
• RTECS: QE9104700
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21-36/37/38; 36/38
• Safety Statements: 26; 9-23-26-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H311-H332-H315-H319-H335; H314
• GHS Precautionary statements: P261-P305+P351+P338-P361-P302+P352-P405-P501; P280-P305 + P351 + P338-P310

Product Information

• Purity: 95%; 95+%; 97%
• Impurities: ~5% morpholine(may contain)
• Empirical Formula (Hill Notation): C7H15NO2

DETAILS

Sigma Aldrich - 567280

Packaging
1, 5 g in glass bottle