4-(Dimethylamino)cinnamic acid

C₁₁H₁₃NO₂CAS 1552-96-1191.23 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₁H₁₃NO₂
Molar mass: 191.23 g/mol
Exact mass: 191.0946 Da
Melting point: 216 °C
logP: 1.85Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1552-96-1

SMILES

CN(C)c1ccc(C=CC(=O)O)cc1

InChIKey

CQNPVMCASGWEHM-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)

Weigh it out

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

Names and synonyms

7 names

2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-
Cinnamic acid, p-(dimethylamino)-
3-[4-(Dimethylamino)phenyl]-2-propenoic acid
p-(Dimethylamino)cinnamic acid
NSC 13673
NSC 638140
3-(4-Dimethylaminophenyl)acrylic acid

Work with 4-(Dimethylamino)cinnamic acid

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

p-Phenylenediacrylic acid16323-43-669 % similar 4-Chlorocinnamic acid1615-02-762 % similar 4-Methylcinnamic acid1866-39-362 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-259 % similar P-Coumaric acid501-98-459 % similar p-Coumaric acid7400-08-059 % similar Cinnamic acid140-10-358 % similar Cinnamic acid621-82-958 % 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-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9 2-Amino-5-phenyl-(2s)-4-pentenoic acid267650-37-3

Elsewhere

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