Basic information
- CAS
10200-25-6- Standard SMILES
O=C(O)C1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
MVZXUWLTGGBNHL-UHFFFAOYSA-N- Molecular formula
- C11H11N3O6
- Average molar mass
- 281.22 g/mol
- Monoisotopic mass
- 281.06478508
Overview
N-(2,4-dinitrophenyl)proline is a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen. It is a proline derivative, a C-nitro compound and a member of pyrrolidines.
Names & identifiers
- Preferred name
- N-(2,4-Dinitrophenyl)proline
- IUPAC
- 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
- English name
- N-(2,4-Dinitrophenyl)proline
- Molecular formula
- C11H11N3O6
- Molecular weight
- 281.22
Names & synonyms
N-(2,4-Dinitrophenyl)proline10200-25-61-(2,4-Dinitrophenyl)proline1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid(2,4-Dinitrophenyl)prolineDnp-L-prolineDNP-ProNSC89618Oprea1_261495L-Proline,4-dinitrophenyl)-CHEMBL609710SCHEMBL27692447
Show more names
Proline, 1-(2,4-dinitrophenyl)-
CHEBI:53085DTXSID70906984MFCD03029201NSC-89618AKOS002844497CS-0271248ST45025490EN300-717831
Database identifiers
- CAS
10200-25-6、1655-55-6- PubChem CID
- 259587
- DTXSID
DTXSID70906984- ChEMBL
CHEMBL609710- ChEBI
CHEBI:53085- Nikkaji
- J810.716E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 189 °C · 189 °C
- Boiling point
- 531 · 531.0±50.0 °C(Predicted)
- Density
- 1.563 · 1.563±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.20(Predicted)
Chemistry & industry
Suppliers2 total
江苏洪珉药业有限公司18221292452 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Additional notes
DefinitionChEBI: N-(2,4-dinitrophenyl)proline is a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen. It is a C-nitro compound, a member of pyrrolidines and a proline derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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