Basic information
- CAS
1655-49-8- Standard SMILES
O=C(O)[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
XFVSVNWYIWINEC-HNNXBMFYSA-N- Molecular formula
- C18H18N6O10
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.10844079
Names & identifiers
- Preferred name
- N2,N6-Bis(2,4-dinitrophenyl)-L-lysine
- IUPAC
- (2S)-2,6-bis(2,4-dinitroanilino)hexanoic acid
Names & synonyms
1655-49-8Bis(dinitrophenyl)lysineN2,N6-Bis(2,4-dinitrophenyl)-L-lysineDi-DNP-lysineDTXSID601286392G38P8Z64A7NSC-89640L-Lysine, N(2),N(6)-bis(2,4-dinitrophenyl)-RefChem:120218DTXCID601717062216-737-8DI-DNP-L-LYSINE
Show more names
Nalpha,Nepsilon-Bis(2,4-dinitrophenyl)-L-lysineL-Lysine, N2,N6-bis(2,4-dinitrophenyl)-(2S)-2,6-bis(2,4-dinitroanilino)hexanoic acidN|A,N|A-Bis(2,4-dinitrophenyl)-L-lysineC18H18N6O10MFCD00056105EINECS 216-737-8NSC 89640
Database identifiers
- CAS
1655-49-8- PubChem CID
- 96818
- DTXSID
DTXSID601286392- UNII
- G38P8Z64A7
- EC Number
- 216-737-8
- Nikkaji
- J195.288I
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
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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