3-(4-Morpholinyl)benzaldehyde

C₁₁H₁₃NO₂CAS 446866-87-1191.23 g/mol

Open in Covalent MOL file

Aldehyde Ether Tertiary amine

Properties

Molecular formula: C₁₁H₁₃NO₂
Molar mass: 191.23 g/mol
Exact mass: 191.0946 Da
logP: 1.34Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

446866-87-1

SMILES

O=Cc1cccc(N2CCOCC2)c1

InChIKey

LQORKFSMUOSSQM-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO2/c13-9-10-2-1-3-11(8-10)12-4-6-14-7-5-12/h1-3,8-9H,4-7H2

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 3-(4-morpholinyl)-
3-(Morpholin-4-yl)benzaldehyde
3-Morpholinobenzaldehyde

Work with 3-(4-Morpholinyl)benzaldehyde

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

3-(Morpholin-4-yl)aniline159724-40-054 % similar 4-Phenylmorpholine92-53-552 % similar (3-Morpholinophenyl)methylamine625470-29-351 % similar N-Phenylaza-15-crown-566750-10-550 % similar 2-Morpholinobenzaldehyde58028-76-549 % similar Isophthalaldehyde626-19-748 % similar 4-Morpholino-3-nitrobenzaldehyde300541-91-748 % similar 3-Chlorobenzaldehyde587-04-246 % similar

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

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9

Elsewhere

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