chempirical

3-(4-Aminophenyl)-2-propenoic acid

C9H9NO2CAS 2393-18-2163.18 g/mol

Open in Covalent MOL file
H2NOOH
AlkeneCarboxylic acidPrimary amine

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
155–160 °C (decomposes)
logP
1.37Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
2393-18-2
SMILES
Nc1ccc(C=CC(=O)O)cc1
InChIKey
JOLPMPPNHIACPD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • 2-Propenoic acid, 3-(4-aminophenyl)-
  • Cinnamic acid, p-amino-
  • 4-Aminocinnamic acid
  • p-Aminocinnamic acid
  • NSC 1780

Work with 3-(4-Aminophenyl)-2-propenoic 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

3-(4-Aminophenyl)acrylic acid hydrochloride54057-95-390 % similar P-Phenylenediacrylic acid16323-43-677 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-265 % similar P-Coumaric acid501-98-465 % similar P-Coumaric acid7400-08-065 % similar Cinnamic acid140-10-363 % similar Cinnamic acid621-82-963 % similar 4-Bromocinnamic acid1200-07-363 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook