Basic information
- CAS
428830-45-9- Standard SMILES
CCCS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
UWWULTFASUQHHK-UHFFFAOYSA-N- Molecular formula
- C14H21N3O4S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.12527733
Names & identifiers
- Preferred name
- 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine
- IUPAC
- 1-[(4-nitrophenyl)methyl]-4-propylsulfonylpiperazine
- English name
- 1-(4-nitrobenzyl)-4-(propylsulfonyl)piperazine(WXG00201)
- Molecular formula
- C14H21N3O4S
- Molecular weight
- 327.4
Names & synonyms
428830-45-9RefChem:4259631-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine684-548-11-(4-nitrobenzyl)-4-(propylsulfonyl)piperazine1-[(4-nitrophenyl)methyl]-4-propylsulfonylpiperazineOprea1_428702Oprea1_567738SCHEMBL3446990CHEMBL1623246UWWULTFASUQHHK-UHFFFAOYSA-NSTK147208
Show more names
Piperazine, 1-[(4-nitrophenyl)methyl]-4-(propylsulfonyl)-
AKOS000552099DB-110944ST451092894-[(4-nitrophenyl)methyl]-1-(propylsulfonyl)piperazine1-(4-nitrobenzyl)-4-(propylsulfonyl)piperazine(WXG00201)1-[(4-nitrophenyl)methyl]-4-(propane-1-sulfonyl)piperazine--oxalic acid (1/1)
Database identifiers
- CAS
428830-45-9- PubChem CID
- 770702
- ChEMBL
CHEMBL1623246- EC Number
- 684-548-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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