chempirical

3-(4-Aminophenyl)acrylic acid hydrochloride

C9H10ClNO2CAS 54057-95-3199.63 g/mol

Open in Covalent MOL file
HClH2NOOH
AlkeneCarboxylic acidPrimary amine

Properties

Molecular formula
C9H10ClNO2
Molar mass
199.63 g/mol
Exact mass
199.0400 Da
Melting point
265–268 °C
logP
1.79Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
54057-95-3
SMILES
Cl.Nc1ccc(C=CC(=O)O)cc1
InChIKey
SFRAURMUQMJLPG-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2.ClH/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-6H,10H2,(H,11,12);1H

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

Names and synonyms

4 names
  • 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)
  • 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride
  • p-Aminocinnamic acid hydrochloride
  • 4-Aminocinnamic acid hydrochloride

Work with 3-(4-Aminophenyl)acrylic acid hydrochloride

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)-2-propenoic acid2393-18-290 % similar P-Phenylenediacrylic acid16323-43-669 % 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 4-Bromocinnamic acid1200-07-357 % similar

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

Same formula

2-Chloro-L-phenylalanine103616-89-3 (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-3 (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-4 (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-8 Methyl (αS)-α-amino-2-chlorobenzeneacetate141109-14-0 Methyl (αR)-α-amino-2-chlorobenzeneacetate141109-16-2 4-Chloro-L-phenylalanine14173-39-8 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-2

Elsewhere

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