morpholin-4-amine

• ChemBase ID: 78339
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: O1CCN(CC1)N
• Canonical SMILES: NN1CCOCC1
• InChI: InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2
• InChIKey: MKQLBNJQQZRQJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholin-4-amine
• IUPAC Traditional name: morpholin-4-ylamine
• Synonyms: morpholin-4-amine; 4-Aminomorpholine; 4-Aminomorpholine 98%; 4-氨基吗啉

Database IDs

• CAS Number: 4319-49-7
• EC Number: 224-347-4
• MDL Number: MFCD00006174
• PubChem SID: 24891114; 162043108
• PubChem CID: 20315

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7026631
• LogD (pH = 7.4): -1.1033512
• Log P: -1.0865207
• Molar Refractivity: 28.252 cm^3
• Polarizability: 10.922711 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 167-169°C; 168 °C(lit.); 168°C
• Flash Point: 136.4 °F; 58 °C; 58°C(137°F)
• Density: 1.059; 1.059 g/mL at 25 °C(lit.)
• Refractive Index: 1.4785; n20/D 1.4772(lit.)

Safety Information

• Storage Warning: Harmful/Flammable
• RTECS: QD7300000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 1993; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 20/21/22-36/37/38; 22-34
• Safety Statements: 20-26-36/37/39-45; 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H315-H319-H332-H335; H301-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C4H10N2O

DETAILS

Sigma Aldrich - A66308

Packaging
10, 25 g in glass bottle