Basic information
- CAS
1655-49-8- Standard SMILES
O=C(O)C(CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
XFVSVNWYIWINEC-UHFFFAOYSA-N- Molecular formula
- C18H18N6O10
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.10844079
Names & identifiers
- Preferred name
- 2,6-Bis(2,4-dinitroanilino)hexanoic acid
- IUPAC
- 2,6-bis(2,4-dinitroanilino)hexanoic acid
Names & synonyms
2,6-bis(2,4-dinitroanilino)hexanoic acidC18H18N6O10MFCD00056105BDBM92736L-Lysine,N6-bis(2,4-dinitrophenyl)-NSC89640, 9ST450221162,6-bis[(2,4-dinitrophenyl)amino]hexanoic acidNalpha, Nepsilon-Bis(2,4-dinitrophenyl)-L-lysine
Database identifiers
- CAS
1655-49-8- PubChem CID
- 259602
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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