Basic information
- CAS
1655-66-9- Standard SMILES
O=C(O)[C@H](Cc1cnc[nH]1)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
DYPVFKXVTXSSTH-KRWDZBQOSA-N- Molecular formula
- C18H13N7O10
- Average molar mass
- 487.3 g/mol
- Monoisotopic mass
- 487.07238964
Names & identifiers
- Preferred name
- N,N-bis(2,4-dinitrophenyl)-L-histidine
- IUPAC
- (2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid
- English name
- N,N-bis(2,4-dinitrophenyl)-L-histidine
- Molecular formula
- C18H13N7O10
- Molecular weight
- 487.34
Names & synonyms
N,N-Bis(2,4-dinitrophenyl)-L-histidine1655-66-9EINECS 216-747-2DTXSID30167958RefChem:161081DTXCID2090449216-747-2(2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acidDYPVFKXVTXSSTH-KRWDZBQOSA-NNS00025419L-Histidine, N,N-bis(2,4-dinitrophenyl)-
Database identifiers
- CAS
1655-66-9- PubChem CID
- 102151
- DTXSID
DTXSID30167958- EC Number
- 216-747-2
- Nikkaji
- J195.296J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- Melting point
- 227 °C · 227 °C
- Boiling point
- 848.3 · 848.3±65.0 °C(Predicted)
- Density
- 1.73 · 1.730±0.06 g/cm3(Predicted)
- pka
- 2.53 · 2.53±0.13(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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