Basic information
- CAS
1435-07-0- Standard SMILES
CCN(CC)C(=O)Cn1cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
FZLUAEDDEDLRIB-UHFFFAOYSA-N- Molecular formula
- C10H14N4O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.09641956
Names & identifiers
- Preferred name
- Orf 1616
- IUPAC
- 2-(2,4-dinitropyrrol-1-yl)-N,N-diethylacetamide
- English name
- N,N-Diethyl-2,4-dinitro-1H-pyrrole-1-acetamide
- Molecular weight
- 0
Names & synonyms
Orf 16161435-07-0ORF-1616N,N-Diethyl-2,4-dinitro-1H-pyrrole-1-acetamide1H-Pyrrole-1-acetamide, N,N-diethyl-2,4-dinitro-SE9EPZ9HW3N,N-Diethyl-2,4-dinitropyrrole-1-acetamidePyrrole-1-acetamide, N,N-diethyl-2,4-dinitro-NSC-50372DTXSID40162439RefChem:168459DTXCID5084930
Show more names
1-(N,N-Diethylcarbamylmethyl)-2,4-dinitropyrrole2-(2,4-dinitropyrrol-1-yl)-N,N-diethylacetamideMLS002667381NSC 50372BRN 1593139AI3-507951-(N,4-dinitropyrroleUNII-SE9EPZ9HW3
Database identifiers
- CAS
1435-07-0- PubChem CID
- 96068
- DTXSID
DTXSID40162439- ChEMBL
CHEMBL1865966- UNII
- SE9EPZ9HW3
- Nikkaji
- J125.948B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- FDA UNII
- 9 EPZ9HW3 · SE9EPZ9HW3
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…