1-(4-(Ethylsulfonyl)-2-nitrophenyl)-1,4-diazepane hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
1172507-82-2- Standard SMILES
CCS(=O)(=O)c1ccc(N2CCCNCC2)c([N+](=O)[O-])c1.Cl- InChIKey
MODULXWERBXLDE-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O4S
- Average molar mass
- 349.83 g/mol
- Monoisotopic mass
- 349.086305
Names & identifiers
- Preferred name
- 1-(4-(Ethylsulfonyl)-2-nitrophenyl)-1,4-diazepane hydrochloride
- IUPAC
- 1-(4-ethylsulfonyl-2-nitrophenyl)-1,4-diazepane;hydrochloride
- English name
- 1-[4-(ETHYLSULFONYL)-2-NITROPHENYL]HOMOPIPERAZINE HYDROCHLORIDE
- Molecular formula
- C13H20ClN3O4S
- Molecular weight
- 349.8336
Names & synonyms
1172507-82-21-[4-(Ethylsulfonyl)-2-nitrophenyl]homopiperazine hydrochloride1-(4-(Ethylsulfonyl)-2-nitrophenyl)-1,4-diazepane hydrochloride1-[4-(ethanesulfonyl)-2-nitrophenyl]-1,4-diazepane hydrochloride1-(4-ethylsulfonyl-2-nitrophenyl)-1,4-diazepane;hydrochloride1-[4-(ethylsulfonyl)-2-nitrophenyl]homopiperazinehydrochloride1-[4-(ethylsulphonyl)-2-nitrophenyl]homopiperazine hydrochlorideMFCD08692387AKOS0158468451-(4-(Ethylsulfonyl)-2-nitrophenyl)-1,4-diazepanehydrochloride1-(4-ethylsulfonyl-2-nitro-phenyl)-1,4-diazepane;hydrochloride
Database identifiers
- CAS
1172507-82-2- PubChem CID
- 44119742
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 222 · 222-225°C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…