Basic information
- CAS
10484-03-4- Standard SMILES
CC(C)CC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
STMDPCBYJCIZOD-UHFFFAOYSA-N- Molecular formula
- C12H15N3O6
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.0960852
Names & identifiers
- Preferred name
- N-(2,4-Dinitrophenyl)-DL-leucine
- IUPAC
- 2-(2,4-dinitroanilino)-4-methylpentanoic acid
- English name
- N-(2,4-dinitrophenyl)-DL-leucine
- Molecular formula
- C12H15N3O6
- Molecular weight
- 297.26
Names & synonyms
10484-03-4N-(2,4-Dinitrophenyl)-DL-leucineLeucine, N-(2,4-dinitrophenyl)-, DL-RefChem:1090867233-991-5(2,4-Dinitrophenyl)leucine2-[(2,4-dinitrophenyl)amino]-4-methylpentanoic acid2-(2,4-Dinitroanilino)-4-methylpentanoic acid2-(2,4-dinitroanilino)-4-methyl-pentanoic acidDnp-L-leucineEINECS 233-991-5(S)-2-((2,4-Dinitrophenyl)amino)-4-methylpentanoic acid
Show more names
Leucine, N-(2,4-dinitrophenyl)-rac-(2R*)-4-Methyl-2-(2,4-dinitrophenylamino)valeric acidrac-(R*)-4-Methyl-2-[(2,4-dinitrophenyl)amino]pentanoic acid
NSC-89626NSC89626DNP-L--LEUCINEOprea1_484321N-2,4-dinitrophenylleu-cineCHEMBL609711SCHEMBL6129749STMDPCBYJCIZOD-UHFFFAOYSA-N
Database identifiers
- CAS
10484-03-4、1655-57-8- PubChem CID
- 112121
- DTXSID
DTXSID20874321- ChEMBL
CHEMBL609711- EC Number
- 233-991-5
- Nikkaji
- J809.203F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 134.5 · 134.5-135.5 °C
- Boiling point
- 509.691 · 509.691±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.642 · 3.642±0.22(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海裕英生物医药科技有限公司021-50158063 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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