4-Morpholineethanol...

4-Morpholineethanol, a-(phenoxymethyl)- 5296-26-4

4-Morpholineethanol, a-(phenoxymethyl)- 5296-26-4

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  • Purity: 99%
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4-Morpholineethanol, a-(phenoxymethyl)- 5296-26-4 98%

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

Identification and Related Records
【Name】
4-Morpholineethanol, a-(phenoxymethyl)-
【Iupac name】
1-morpholin-4-yl-3-phenoxypropan-2-ol
【CAS Registry number】
5296-26-4
【Synonyms】
NSC89427
【Molecular Formula】
C13H19 N O3 (Products with the same molecular formula)
【Molecular Weight】
237.2949
【Inchi】
InChI=1/C13H19NO3/c15-12(10-14-6-8-16-9-7-14)11-17-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2
【Canonical SMILES】
C1COCCN1CC(COC2=CC=CC=C2)O
Chemical and Physical Properties
【Density】
1.135g/cm3
【Boiling Point】
402.6°C at 760 mmHg
【Refractive Index】
1.537
【Flash Point】
197.3°C
【Computed Properties】
Molecular Weight:237.29486 [g/mol]
Molecular Formula:C13H19NO3
XLogP3-AA:0.9
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:5
Exact Mass:237.136493
MonoIsotopic Mass:237.136493
Topological Polar Surface Area:41.9
Heavy Atom Count:17
Formal Charge:0
Complexity:201
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:6.2
Conformer Sampling RMSD:0.8
CID Conformer Count:39

 

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