N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide
Basic information
- CAS
126813-43-2- Standard SMILES
CN(CCN)S(=O)(=O)c1ccc(C(C)(C)[N+](=O)[O-])c([N+](=O)[O-])c1.Cl- InChIKey
PVNROONUSPJSFF-UHFFFAOYSA-N- Molecular formula
- C12H19ClN4O6S
- Average molar mass
- 382.82 g/mol
- Monoisotopic mass
- 382.0713832
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide
- IUPAC
- N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide;hydrochloride
- English name
- N-(2-aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide
- Molecular weight
- 0
Names & synonyms
ANNBS126813-43-2N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamideDTXSID70155298RefChem:161655DTXCID9077789SCHEMBL10586472N-(2-Aminoethyl)-N-methyl-4-(1-methyl-1-nitroethyl)-3-nitrobenzenesulfonamide monohydrochlorideBenzenesulfonamide, N-(2-aminoethyl)-N-methyl-4-(1-methyl-1-nitroethyl)-3-nitro-, monohydrochlorideN-(2-Aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide--hydrogen chloride (1/1)
Database identifiers
- CAS
126813-43-2- PubChem CID
- 124406
- DTXSID
DTXSID70155298
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Melting point
- 207.5 · 207.5-209.5 °C
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Related reactions
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Compound notes
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