Basic information
- CAS
1432-65-1- Standard SMILES
[Cl-].[NH3+]CCSC(C[N+](=O)[O-])c1ccc2c(c1)OCO2- InChIKey
ILODTEWXAGKVGE-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O4S
- Average molar mass
- 306.77 g/mol
- Monoisotopic mass
- 306.0441058
Names & identifiers
- Preferred name
- Ethylamine, 2-(alpha-(nitromethyl)piperonylthio)-, hydrochloride
- IUPAC
- 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanylethylazanium chloride
Names & synonyms
1432-65-1ETHYLAMINE, 2-(alpha-(NITROMETHYL)PIPERONYLTHIO)-, HYDROCHLORIDERefChem:1085159alpha-Nitromethyl-2-piperonylthio-ethylamine hydrochlorideNSC 162217DTXSID6013814412-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanylethylazanium;chloride
Database identifiers
- CAS
1432-65-1- PubChem CID
- 15028
- DTXSID
DTXSID601381441
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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