chempirical

4-Morpholinepropanenitrile

C7H12N2OCAS 4542-47-6140.19 g/mol

Open in Covalent MOL file
NNO
EtherNitrileTertiary amine

Properties

Molecular formula
C7H12N2O
Molar mass
140.19 g/mol
Exact mass
140.0950 Da
Density
1.04 g/mL
Melting point
20.4–20.6 °C
Boiling point
133–134 °C (at 14 Torr)
logP
0.23Crippen estimate
Polar surface area
36.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
4542-47-6
SMILES
N#CCCN1CCOCC1
InChIKey
WXVKGHVDWWXBJX-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • 4-Morpholinepropionitrile
  • β-Morpholinopropionitrile
  • 3-Morpholinopropionitrile
  • 3-Morpholinopropanenitrile
  • NSC 20547
  • NSC 41718
  • N-(2-Cyanoethyl)morpholine
  • 3-(Morpholin-4-yl)propionitrile

Work with 4-Morpholinepropanenitrile

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-Pyrrolidinepropanenitrile26165-45-761 % similar 1-Piperidinepropanenitrile3088-41-358 % similar Dimorpholinodiethyl ether6425-39-455 % similar Bis(2-cyanoethyl) ether1656-48-055 % similar 2.2.2-Cryptand23978-09-852 % similar 1-Pyrrolidinebutanenitrile35543-25-048 % similar Dimorpholinomethane5625-90-143 % similar Dimethylaminopropionitrile1738-25-642 % similar

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

Same formula

N,N′-Di-2-propen-1-ylurea1801-72-5 2-Cyano-N,N-diethylacetamide26391-06-0 2,4-Dihydro-2-methyl-5-propyl-3H-pyrazol-3-one31272-04-5

Elsewhere

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