Basic information
- CAS
10549-12-9- Standard SMILES
O=C(O)C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
HJQHTLAEPSKXQJ-UHFFFAOYSA-N- Molecular formula
- C15H13N3O6
- Average molar mass
- 331.28 g/mol
- Monoisotopic mass
- 331.08043514
Names & identifiers
- Preferred name
- N-(2,4-dinitrophenyl)-3-phenyl-L-alanine
- IUPAC
- 2-(2,4-dinitroanilino)-3-phenylpropanoic acid
Names & synonyms
EINECS 216-742-5NSC 78496NSC 526956N-(2,4-Dinitrophenyl)-3-phenyl-L-alanineRefChem:824017216-742-5NIOSH/AY5994700N-(2,4-Dinitrophenyl)-DL-phenylalanineAY599470002-(2,4-dinitroanilino)-3-phenyl-propanoic acidAlanine, N-(2,4-dinitrophenyl)-3-phenyl-, DL-L-Phenylalanine,4-dinitrophenyl)-
Show more names
n-(2,4-dinitrophenyl)phenylalanineNSC784962-[(2,4-dinitrophenyl)amino]-3-phenylpropanoic acid(S)-2-((2,4-Ddinitrophenyl)amino)-3-phenylpropanoic acidNCIOpen2_008793MLS001171621(2S)-2-[(2,4-DINITROPHENYL)AMINO]-3-PHENYLPROPANOIC ACIDCHEMBL609970
Database identifiers
- CAS
10549-12-9、1655-54-5- PubChem CID
- 98119
- ChEMBL
CHEMBL609970- EC Number
- 216-742-5
- Nikkaji
- J809.207I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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