2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid
Basic information
- CAS
1655-51-2- Standard SMILES
O=C(O)C(Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
LAPUOPKWYOOCKL-UHFFFAOYSA-N- Molecular formula
- C17H14N4O6
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 370.09133418
Names & identifiers
- Preferred name
- 2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid
- IUPAC
- 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
- English name
- Dnp-L-tryptophan
- Molecular formula
- C17H14N4O6
- Molecular weight
- 370.32
Names & synonyms
DNP-L-tryptophanN-2,4-Dinitrophenyl-L-TryptophanNSC5269592-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acidN-dinitrophenyl-l-tryptophanOprea1_371192CHEMBL609968SCHEMBL1230163L-Tryptophan,4-dinitrophenyl)-(2S)-2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid(S)-2-((2,4-Dinitrophenyl)amino)-3-(1H-indol-3-yl)propanoic acidN-(2,4-dinitrophenyl)tryptophan
Show more names
N-2,4-DNP-L-TRYPTOPHAN(2,4-Dinitrophenyl)-L-tryptophanNα-(2,4-Dinitrophenyl)tryptophanN-(2,4-dinitrophenyl)-L-tryptophanL-Tryptophan, N-(2,4-dinitrophenyl)-DNP-L-Tryptophan 2,4-Dinitrophenyl-L-tryptophan
NSC526958AKOS001569752L-tryptophan,n-(2,4-dinitrophenyl)-NSC-526958NSC-52695963400-91-9ST078026DS-011335
Database identifiers
- CAS
1655-51-2、63400-91-9- PubChem CID
- 352541
- ChEMBL
CHEMBL609968- Nikkaji
- J809.208G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Boiling point
- 699.6 · 699.6±55.0 °C(Predicted)
- Density
- 1.584 · 1.584±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.59 · 3.59±0.10(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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