2,4-Dinitrophenyl-beta-alanine hydrazide
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Basic information
- CAS
77318-34-4- Standard SMILES
NNC(=O)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ZJRGMGALGXYLLC-UHFFFAOYSA-N- Molecular formula
- C9H11N5O5
- Average molar mass
- 269.21 g/mol
- Monoisotopic mass
- 269.07601845
Names & identifiers
- Preferred name
- 2,4-Dinitrophenyl-beta-alanine hydrazide
- IUPAC
- 3-(2,4-dinitroanilino)propanehydrazide
- English name
- 2,4-dinitrophenyl-beta-alanine hydrazide
- Molecular formula
- C9H11N5O5
- Molecular weight
- 269.21
Names & synonyms
Dnpbah2,4-Dinitrophenyl-beta-alanine hydrazide77318-34-4DTXSID40228064beta-Alanine, N-(2,4-dinitrophenyl)-, hydrazideRefChem:82589DTXCID601505553-(2,4-dinitroanilino)propanehydrazide
Database identifiers
- CAS
77318-34-4- PubChem CID
- 196503
- DTXSID
DTXSID40228064
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 588.027 · 588.027±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.537 · 1.537±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.748 · 12.748±0.35(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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