4-Morpholinepropanenitrile

C₇H₁₂N₂OCAS 4542-47-6140.19 g/mol

Open in Covalent MOL file

Ether Nitrile Tertiary 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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

Pyrrolidine-1-propiononitrile26165-45-761 % similar 1-Piperidinepropanenitrile3088-41-358 % similar Dimorpholinodiethyl ether6425-39-455 % similar Bis(2-cyanoethyl) ether1656-48-055 % similar 3-(Piperazin-1-yl)propanenitrile34064-86-354 % similar 2.2.2-Cryptand23978-09-852 % similar 1-Pyrrolidinebutanenitrile35543-25-048 % similar Dimorpholinomethane5625-90-143 % 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 3-tert-Butyl-4,5-dihydro-1H-pyrazol-5-one29211-68-5 1-Methyl-3-n-propyl-2-pyrazolin-5-one31272-04-5 3-Amino-5-tert-butylisoxazole55809-36-4 2-Morpholinoethyl isocyanide78375-48-1

Elsewhere

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