Basic information
- CAS
31356-36-2- Standard SMILES
CCCCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
BXMHDHVQCLEBPS-UHFFFAOYSA-N- Molecular formula
- C12H15N3O6
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.09608521
Names & identifiers
- Preferred name
- N-(2,4-Dinitrophenyl)-DL-norleucine
- IUPAC
- 2-(2,4-dinitroanilino)hexanoic acid
- English name
- N-2,4-Dnp-DL-norleucine
- Molecular formula
- C12H15N3O6
- Molecular weight
- 297.26
Names & synonyms
31356-36-2N-(2,4-Dinitrophenyl)-DL-norleucine2-(2,4-dinitroanilino)hexanoic acidN-2,4-DNP-DL-NORLEUCINEn-(2,4-dinitrophenyl)norleucineNSC96419EINECS 250-587-42-[(2,4-dinitrophenyl)amino]hexanoic acidSCHEMBL1875530SCHEMBL1875534BXMHDHVQCLEBPS-UHFFFAOYSA-NNorleucine,4-dinitrophenyl)-, DL-
Show more names
DNP-DL-NORLEUCINENorleucine, N-(2,4-dinitrophenyl)-(±)-N-(2,4-Dinitrophenyl)norleucineDNP-DL-Norleucine 2,4-Dinitrophenyl-DL-norleucine
MFCD00047699NSC 96419NSC-964196-(N-dinitrophenyl)amino caproic acidAKOS010135238DB-048014ST45022087
Database identifiers
- CAS
31356-36-2- PubChem CID
- 97002
- DTXSID
DTXSID60874320- EC Number
- 250-587-4
- Nikkaji
- J809.201J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
LogP3.25
Physicochemical properties
- Boiling point
- 516.941 · 516.941±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.644 · 3.644±0.22(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
Chemistry & industry
Suppliers3 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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