Basic information
- CAS
1655-56-7- Standard SMILES
CCC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
PCZSORDQCDENOD-QRIDDKLISA-N- Molecular formula
- C12H15N3O6
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.09608521
Names & identifiers
- Preferred name
- (2S)-2-(2,4-dinitroanilino)-3-methylpentanoic acid
- IUPAC
- (2S)-2-(2,4-dinitroanilino)-3-methylpentanoic acid
- English name
- Dnp-L-isoleucine
- Molecular formula
- C12H15N3O6
- Molecular weight
- 297.26
Names & synonyms
SCHEMBL11236642NS00047534Nsc89628DNP-IsoleucineDnp-L-isoleucineN-2,4-DNP-L-ISOLEUCINEDNP-L-ISOLEUCINE USP/EP/BPN-(2,4-Dinitrophenyl)isoleucineN-(2,4-dinitrophenyl)-L-isoleucineN-2-4-dnp-L-isoleucine crystallineL-Isoleucine, N-(2,4-dinitrophenyl)-DNP-L-Isoleucine 2,4-Dinitrophenyl-L-isoleucine
Database identifiers
- CAS
1655-56-7- PubChem CID
- 96813
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
- 405
Physicochemical properties
- Boiling point
- 509.7 · 509.7±50.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3 · 3+-.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
Suppliers6 total
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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