2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 2799
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: NCCN1CCOCC1
• Canonical SMILES: NCCN1CCOCC1
• InChI: InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2
• InChIKey: RWIVICVCHVMHMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: N-aminoethylmorpholine
• Synonyms: N-Aminoethylmorpholine; 2-Morpholinoethylamine; 4-(2-Aminoethyl)morpholine; 2-Morpholinoethylamine; 2-morpholinoethanamine; 2-(Morpholin-4-yl)ethylamine; 4-(2-Aminoethyl)morpholine; 4-Morpholineethylamine; 2-(4-Morpholinyl)ethylamine; 2-氨乙基吗啉; 4-(2-氨乙基)-吗啉; 2-氨乙基吗啉; 4-(2-胺乙基)吗啉

Database IDs

• CAS Number: 2038-03-1
• EC Number: 218-011-6
• MDL Number: MFCD00006182
• Beilstein Number: 104378
• PubChem SID: 160966247; 24890978; 46505454
• PubChem CID: 408285

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.0029187
• LogD (pH = 7.4): -2.7714622
• Log P: -0.8253148
• Molar Refractivity: 37.0124 cm^3
• Polarizability: 14.7968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.99
• LOG S: 0.88
• Solubility (Water): 9.84e+02 g/l

PROPERTIES

Physical Property

• Melting Point: 16-20°C; 23-25°C
• Boiling Point: 200-203°C; 205 °C(lit.); 205°C
• Flash Point: 186.8 °F; 86 °C; 86°C; 86°C(186°F)
• Density: 0.992; 0.992 g/mL at 25 °C(lit.); 0.999
• Refractive Index: 1.4760; n20/D 1.476; n20/D 1.476(lit.)
• Transition Temperature: solidification point 25-27 °C(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Harmful/Air Sensitive/Moisture Sensitive/Store under Argon
• RTECS: QD7350000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2735; UN2923
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-24-34; 22-34-43
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H317; H311-H302-H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: ≥98.0% (GC); 98+%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H14N2O

DETAILS

DrugBank - DB03096

Drug information: experimental

Sigma Aldrich - A55004

Packaging
5, 25, 100 g in glass bottle