chempirical

4-Morpholinecarbonyl chloride

C5H8ClNO2CAS 15159-40-7149.57 g/mol

Open in Covalent MOL file
OClNO
Acyl halideEther

Properties

Molecular formula
C5H8ClNO2
Molar mass
149.57 g/mol
Exact mass
149.0244 Da
Density
1.2816 g/mL (at 20 °C)
Boiling point
102 °C (at 8 Torr)
logP
0.68Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
15159-40-7
SMILES
O=C(Cl)N1CCOCC1
InChIKey
XMWFMEYDRNJSOO-UHFFFAOYSA-N
InChI
InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2

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Names and synonyms

11 names
  • Morpholinocarbonyl chloride
  • Morpholine, 4-(chlorocarbonyl)-
  • N-Chlorocarbonylmorpholine
  • 4-(Chloroformyl)morpholine
  • 4-Morpholinocarbonyl chloride
  • 4-(Chlorocarbonyl)morpholine
  • NSC 50226
  • 4-Morpholinecarboxylic acid chloride
  • N-Morpholinecarbonyl chloride
  • 4-Morpholinylcarbonyl chloride
  • Morpholine-4-carbonyl chloride

Work with 4-Morpholinecarbonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Pyrrolidinecarbonyl chloride1192-63-861 % similar N,N-Bis(2-chloroethyl)carbamic chloride2998-56-356 % similar 4-(Chloroacetyl)morpholine1440-61-552 % similar N-Acetylmorpholine1696-20-448 % similar 4-Methyl-1-piperazinecarbonyl chloride hydrochloride55112-42-047 % similar Diethylcarbamoyl chloride88-10-846 % similar Acryloylmorpholine5117-12-443 % similar 4-(Cyanoacetyl)morpholine15029-32-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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