Benzamide, 5-(p-((2-bromoethyl)ethylamino)anilino)-2,4-dinitro-
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Basic information
- CAS
32869-02-6- Standard SMILES
CCN(CCBr)c1ccc(Nc2cc(C(N)=O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
BBXHORAXORVJKX-UHFFFAOYSA-N- Molecular formula
- C17H18BrN5O5
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 451.04913
Names & identifiers
- Preferred name
- Benzamide, 5-(p-((2-bromoethyl)ethylamino)anilino)-2,4-dinitro-
- IUPAC
- 5-[4-[2-bromoethyl(ethyl)amino]anilino]-2,4-dinitrobenzamide
- English name
- 5-[[4-(2-bromoethyl-ethyl-amino)phenyl]amino]-2,4-dinitro-benzamide
- Molecular formula
- C17H18BrN5O5
- Molecular weight
- 452.26
Names & synonyms
32869-02-6Benzamide, 5-(p-((2-bromoethyl)ethylamino)anilino)-2,4-dinitro-5-(p-((2-Bromoethyl)ethylamino)anilino)-2,4-dinitrobenzamideDTXSID10186526RefChem:321812DTXCID50109017DB-2634315-{4-[(2-Bromoethyl)(ethyl)amino]anilino}-2,4-dinitrobenzamide5-[[4-(2-Bromoethyl-ethyl-amino)phenyl ]amino]-2,4-dinitro-benzamide5-[[4-(2-bromoethyl-ethyl-amino)phenyl]amino]-2,4-dinitro-benzamideBenzamide, 5-[p-[(2-bromoethyl)ethylamino]anilino]-2,4-dinitro- (8CI)
Database identifiers
- CAS
32869-02-6- PubChem CID
- 208708
- DTXSID
DTXSID10186526
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
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Compound notes
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