Basic information
- CAS
10250-67-6- Standard SMILES
CC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
KKHLKORVTUUSBC-UHFFFAOYSA-N- Molecular formula
- C9H9N3O6
- Average molar mass
- 255.18 g/mol
- Monoisotopic mass
- 255.04913501
Overview
RN given refers to (L)-isomer
Names & identifiers
- Preferred name
- N-(2,4-Dinitrophenyl)alanine
- IUPAC
- 2-(2,4-dinitroanilino)propanoic acid
Names & synonyms
N-(2,4-Dinitrophenyl)alanineDTXSID50875866Dnp-alanineRefChem:9266112,4-dinitrobenzene alanineDTXCID0010139832-(2,4-Dinitroanilino)propanoic acid10250-67-6NSC-89605NSC89605CHEMBL609969SCHEMBL8962619
Show more names
SCHEMBL9348638KKHLKORVTUUSBC-UHFFFAOYSA-NAKOS002844373AKOS016142908LS-13609
Database identifiers
- CAS
10250-67-6、1655-52-3- PubChem CID
- 259581
- DTXSID
DTXSID50875866- ChEMBL
CHEMBL609969- Nikkaji
- J809.198F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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