Basic information
- CAS
36711-56-5- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1- InChIKey
WQJFKWNHMPAYNT-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 4-(4-Amino-benzoylamino)-benzoic acid
- IUPAC
- 4-[(4-aminobenzoyl)amino]benzoic acid
- English name
- 4-(4-AMINO-BENZOYLAMINO)-BENZOIC ACID
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
36711-56-54-(4-Amino-benzoylamino)-benzoic acid4-[(4-aminobenzoyl)amino]benzoic acid4-(4-AMINOBENZAMIDO)BENZOIC ACID4-(4-Aminobenzoylamino)benzoic acidBenzoicacid, 4-[(4-aminobenzoyl)amino]-Oprea1_066334Oprea1_826162SCHEMBL3277058Ethacridine Lactate Impurity 31DTXSID20349140AKOS000634445
Show more names
N-(4-AMINOBENZOYL)-4-AMINOBENZOIC ACID
4-(4-AMINOBENZAMIDO)BENZOICACIDbenzoic acid, 4-[(4-aminobenzoyl)amino]-SR-01000389428SR-01000389428-1InChI=1/C14H12N2O3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19
Database identifiers
- CAS
36711-56-5- PubChem CID
- 643288
- DTXSID
DTXSID20349140
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 300 °C · >300 °C (decomp)
- Boiling point
- 424.4 · 424.4±30.0 °C(Predicted)
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…