Basic information
- CAS
1602-40-0- Standard SMILES
NC(=O)C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
NILMEQUBTVNETI-ZETCQYMHSA-N- Molecular formula
- C10H10N4O7
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.05494867
Names & identifiers
- Preferred name
- N2-(2,4-dinitrophenyl)-L-asparagine
- IUPAC
- (2S)-4-amino-2-(2,4-dinitroanilino)-4-oxobutanoic acid
Names & synonyms
N2-(2,4-Dinitrophenyl)-L-asparagine1602-40-0EINECS 216-495-3NSC 89611RefChem:164332216-495-3N-2-4-DNP-L-ASPARAGINE CRYSTALLINE(2S)-3-carbamoyl-2-[(2,4-dinitrophenyl)amino]propanoic acidN~2~-(2,4-Dinitrophenyl)-L-asparagineNSC-89611L-Asparagine, N2-(2,4-dinitrophenyl)-N-2,4-DNP-L-asparagine
Show more names
2,4-Dinitrophenyl-L-asparaginealpha-Dinitrophenyl-L-asparagineNILMEQUBTVNETI-ZETCQYMHSA-N6H397D4W3MDTXSID401293248AKOS024461983NS00047346EN300-302956
Database identifiers
- CAS
1602-40-0- PubChem CID
- 96802
- DTXSID
DTXSID401293248- UNII
- 6H397D4W3M
- EC Number
- 216-495-3
- Nikkaji
- J195.214E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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