Basic information
- CAS
1664-56-8- Standard SMILES
Nc1cccc(/C=C/C(=O)O)c1- InChIKey
JNXMJSYJCFTLJB-SNAWJCMRSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Overview
3-(3-aminophenyl)-2-propenoic acid is a member of cinnamic acids.
Names & identifiers
- Preferred name
- (2E)-3-(3-aminophenyl)acrylic acid
- IUPAC
- (E)-3-(3-aminophenyl)prop-2-enoic acid
- English name
- 3-(3-Aminophenyl)propenoic acid
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
127791-53-1(2E)-3-(3-aminophenyl)acrylic acid(E)-3-(3-Aminophenyl)acrylic acidm-Aminocinnamic acid(2E)-3-(3-aminophenyl)prop-2-enoic acid1664-56-8(E)-3-(3-aminophenyl)prop-2-enoic acid(E)-3-Aminocinnamic AcidMFCD004601122-Propenoic acid, 3-(3-aminophenyl)-, (2E)-(2E)-3-(3-Aminophenyl)-2-propenoic acid3-(3-aminophenyl)acrylic acid
Show more names
3-(3-Aminophenyl)propenoic acid2-Propenoic acid, 3-(3-aminophenyl)-Erlotinib Impurity 1803-(3-aminophenyl)acrylicacidMLS000777780SCHEMBL1000884CHEMBL1379670SCHEMBL29777960
Database identifiers
- CAS
1664-56-8- PubChem CID
- 700673
- ChEMBL
CHEMBL1379670- ChEBI
CHEBI:121499- Nikkaji
- J35.821E、J80.279D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
Solubility>24.5 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers5 total
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
天津安浩生物科技有限公司[email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Additional notes
DefinitionChEBI: 3-(3-aminophenyl)-2-propenoic acid is a member of cinnamic acids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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