2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid
Basic information
- CAS
81187-95-3- Standard SMILES
O=C(O)C(CS(=O)(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ZLEWNRPPGPGZJT-UHFFFAOYSA-N- Molecular formula
- C9H9N3O9S
- Average molar mass
- 335.25 g/mol
- Monoisotopic mass
- 335.00595005
Names & identifiers
- Preferred name
- 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid
- IUPAC
- 2-(2,4-dinitroanilino)-3-sulfopropanoic acid
- English name
- Dnp-DL-aspartic acid
- Molecular formula
- C9H10N3NaO9S
- Molecular weight
- 359.24
Names & synonyms
2-[(2,4-dinitrophenyl)amino]-3-sulfopropanoic acid81187-95-32-(2,4-dinitroanilino)-3-sulfopropanoic acidDNP-Cysteic acid sodium saltNSC638610DNP-Cysteic acid (*sodium salt*)DTXSID00327244N-(2,4-Dinitrophenyl)-3-sulfoalanineDB-056498ST450221272-(2,4-dinitroanilino)-3-sulfo-propanoic acid2-(2,4-Dinitro-phenylamino)-3-sulfo-propionic acid
Show more names
Dnp-DL-aspartic acidN-2,4-dnp-L-cysteic acid sodiumDNP-L-CYSTEIC ACID, SODIUM SALTN-2,4-DNP-L-CYSTEIC ACID SODIUM SALTN-2,4-dinitrophenyl-L-cysteic acid sodium saltDNP-L-Cysteic acid, sodium salt 2,4-Dinitrophenyl-L-cysteic acid, sodium salt
Database identifiers
- CAS
81187-95-3- PubChem CID
- 368189
- DTXSID
DTXSID00327244
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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