4,4'-(Carbonyldiazanediyl)dibenzoic acid
Basic information
- CAS
1234-27-1- Standard SMILES
O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1- InChIKey
CPBPNIAQWUCTAS-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.07462149
Names & identifiers
- Preferred name
- 4,4'-(Carbonyldiazanediyl)dibenzoic acid
- IUPAC
- 4-[(4-carboxyphenyl)carbamoylamino]benzoic acid
- English name
- Benzoic acid,4,4'-(carbonyldiimino)bis-
- Molecular formula
- C15H12N2O5
- Molecular weight
- 300.27
Names & synonyms
1234-27-1DTXSID303107804,4'-(Carbonyldiazanediyl)dibenzoic acidRefChem:284475DTXCID902619064,4'-(Carbonylbis(azanediyl))dibenzoic acid4-[(4-carboxyphenyl)carbamoylamino]benzoic acid4,4'-(Carbonylbis(azanediyl))dibenzoicacid4-{[N-(4-carboxyphenyl)carbamoyl]amino}benzoic acid4-{[(4-CARBOXYPHENYL)CARBAMOYL]AMINO}BENZOIC ACIDMFCD002723124-{[(4-carboxyanilino)carbonyl]amino}benzoic acid
Show more names
4,4'-(carbonylbis(azadiyl))dibenzenemacetic acid
4,4'-[Carbonylbis(azanediyl)]dibenzoic acidNSC2316634,4'-(Carbonyldiimino)bis-benzoic acidBENZOIC ACID,4,4'-(CARBONYLDIIMINO)BIS-orb3214389SCHEMBL4745756DK7535SBB071698
Database identifiers
- CAS
1234-27-1- PubChem CID
- 314339
- DTXSID
DTXSID30310780- Nikkaji
- J3.463.940J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 290 °C · 290 °C
- Boiling point
- 458.7 · 458.7±30.0 °C(Predicted)
- Density
- 1.54 · 1.540±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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