Basic information
- CAS
6268-06-0- Standard SMILES
Cl.Cl.Nc1ccc(Cc2ccc(N)c(C(=O)O)c2)cc1C(=O)O- InChIKey
AGCDFWFLTFKTEB-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N2O4
- Average molar mass
- 359.2 g/mol
- Monoisotopic mass
- 358.0487124
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-methylenebis(6-amino-, hydrochloride (1:2)
- IUPAC
- 2-amino-5-[(4-amino-3-carboxyphenyl)methyl]benzoic acid;dihydrochloride
Names & synonyms
6268-06-0YYU8YMW36NBenzoic acid, 3,3'-methylenebis(6-amino-, dihydrochlorideBenzoic acid, 3,3'-methylenebis[6-amino-, dihydrochlorideDTXSID9064188Benzoic acid, 3,3'-methylenebis(6-amino-, hydrochloride (1:2)5,5'-METHYLENEDIANTHRANILIC ACID DIHYDROCHLORIDE3,3'-METHYLENEBIS(6-AMINOBENZOIC ACID DIHYDROCHLORIDE2-AMINO-5-((4-AMINO-3-CARBOXYPHENYL)METHYL)BENZOIC ACID DIHYDROCHLORIDEBenzoic acid, 3,3'-methylenebis[6-amino-, hydrochloride (1:2)RefChem:199774DTXCID4043480
Show more names
NSC 37136UNII-YYU8YMW36NAGCDFWFLTFKTEB-UHFFFAOYSA-N3,3'-Methylenebis(6-aminobenzoic acid)--hydrogen chloride (1/2)
Database identifiers
- CAS
6268-06-0- PubChem CID
- 80443
- DTXSID
DTXSID9064188- UNII
- YYU8YMW36N
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,3'-methylenebis[6-amino-, hydrochloride (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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