Nitralamine
Basic information
- CAS
1432-75-3- Standard SMILES
NCCSC(C[N+](=O)[O-])c1ccccc1Cl- InChIKey
OQTNUAMHNGNKJC-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O2S
- Average molar mass
- 260.74 g/mol
- Monoisotopic mass
- 260.0386265
Names & identifiers
- Preferred name
- Nitralamine
- IUPAC
- 2-[1-(2-chlorophenyl)-2-nitroethyl]sulfanylethanamine
- English name
- Nitralamine
- Molecular formula
- C10H13ClN2O2S
- Molecular weight
- 260.74
Names & synonyms
NitralamineNQF1UJ4RHIUNII-NQF1UJ4RHI71872-90-7Ethanamine, 2-((1-(2-chlorophenyl)-2-nitroethyl)thio)-2-((o-Chloro-alpha-(nitromethyl)benzyl)thio)ethylamineDTXSID208626672-((O-CHLORO-.ALPHA.-(NITROMETHYL)BENZYL)THIO)ETHYLAMINERefChem:166040DTXCID90811400NSC357114CS-12350
Show more names
2-[[2-Chloro-α-(nitromethyl)benzyl]thio]ethylamineEthanamine, 2-[[1-(2-chlorophenyl)-2-nitroethyl]thio]-
CHEMBL2111120SCHEMBL293878522-{[1-(2-chlorophenyl)-2-nitroethyl]sulfanyl}ethan-1-amineQ272849952-[1-(2-chlorophenyl)-2-nitro-ethyl]sulfanylethanamine{[(.Alpha.-Nitromethyl)-o-chlorobenzylthio]ethylamine} hydrochloride(2-((2-Aminoethyl)thio)-2-(2-chlorophenyl)ethyl)(hydroxy)azane oxide{2-[.Alpha.-(Nitromethyl)-2-chlorobenzylthio]ethylamine} hydrochloride
Database identifiers
- CAS
1432-75-3、71872-90-7- PubChem CID
- 15031
- DTXSID
DTXSID20862667- ChEMBL
CHEMBL2111120- UNII
- NQF1UJ4RHI
- Nikkaji
- J19.053E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- FDA UNII
- 1 UJ4RHI · NQF1UJ4RHI
Chemistry & industry
Applications
UsesAntifungal.
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Related reactions
0 records
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Compound notes
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