Basic information
- CAS
34861-30-8- Standard SMILES
O=C(O)c1ccccc1Nc1ccncc1- InChIKey
MJHIUTGYCYFAQM-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422756
Names & identifiers
- Preferred name
- 2-(4-Pyridylamino)benzoic acid
- IUPAC
- 2-(pyridin-4-ylamino)benzoic acid
- English name
- 2-(4-pyridylamino)benzoic acid
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
34861-30-82-(pyridin-4-ylamino)benzoic acid2-(4-Pyridylamino)benzoic acidBenzoic acid, 2-(4-pyridinylamino)-2-(4-pyridinylamino)benzoic acidEINECS 252-253-32-[(pyridin-4-yl)amino]benzoic acidSCHEMBL10186488DTXSID701884052-(pyridin-4-ylamino)benzoicacidSTL191437AKOS022651319
Show more names
N-[4]pyridyl-anthranilic acid
NS00029741
Database identifiers
- CAS
34861-30-8- PubChem CID
- 410133
- DTXSID
DTXSID70188405- EC Number
- 252-253-3
- Nikkaji
- J289.853E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 283 · 283-284 °C
- Boiling point
- 412.9 · 412.9±25.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- pka
- 3.5 · 3.50±0.36(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
PRINCETON[email protected]
CHEMICAL LAND21[email protected]
Related reactions
3 records
Compound notes
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