4-Benzylmorpholine-2-carbonitrile

C12H14N2OCAS 126645-52-1202.26 g/mol

Open in Covalent MOL file
ONN
EtherNitrileTertiary amine

Properties

Molecular formula
C12H14N2O
Molar mass
202.26 g/mol
Exact mass
202.1106 Da
logP
1.41Crippen estimate
Polar surface area
36.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
126645-52-1
SMILES
C1COC(CN1CC2=CC=CC=C2)C#N
InChIKey
NAWYNSSXFPEQKE-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2

Weigh it out

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Work with 4-Benzylmorpholine-2-carbonitrile

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-Benzylpyrrolidine-3-carbonitrile10603-52-856 % similar (4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-756 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-456 % similar 4-Benzyl-2-(chloromethyl)morpholine40987-25-556 % similar 4-Benzylmorpholine-2-carboxylic acid769087-80-151 % similar 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-549 % similar 4-Benzylmorpholine-2-carboxylic acid hydrochloride135072-15-048 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-1 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one277299-70-4 2-Piperidin-4-yl-benzooxazole51784-03-3

Elsewhere

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