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Basic information
- CAS
261767-18-4- Standard SMILES
CN1CCN(S(=O)(=O)CCCCl)CC1- InChIKey
NXMYGVCAVQPGIL-UHFFFAOYSA-N- Molecular formula
- C8H17ClN2O2S
- Average molar mass
- 240.75 g/mol
- Monoisotopic mass
- 240.06992646
Names & identifiers
- Preferred name
- 1-((3-Chloropropyl)sulfonyl)-4-methylpiperazine
- IUPAC
- 1-(3-chloropropylsulfonyl)-4-methylpiperazine
- English name
- 1-(3-Chloropropanesulfonyl)-4-methylpiperazine
- Molecular formula
- C8H17ClN2O2S
- Molecular weight
- 240.75
Names & synonyms
261767-18-41-((3-chloropropyl)sulfonyl)-4-methylpiperazinePiperazine, 1-[(3-chloropropyl)sulfonyl]-4-methyl-1-(3-chloropropylsulfonyl)-4-methyl-piperazine1-[(3-chloropropyl)sulfonyl]-4-methylpiperazine1-(3-chloropropylsulfonyl)-4-methylpiperazineSCHEMBL1667133DTXSID60437237NXMYGVCAVQPGIL-UHFFFAOYSA-NMFCD12107234DB-190860F87254
Show more names
1-(3-Chloropropanesulfonyl)-4-methylpiperazine
1-(3-chloropropane-1-sulfonyl)-4-methylpiperazine
Database identifiers
- CAS
261767-18-4- PubChem CID
- 10243385
- DTXSID
DTXSID60437237
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 345.8 · 345.8±52.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 6.19 · 6.19±0.42(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
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
4 records
Compound notes
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