Basic information
- CAS
914637-61-9- Standard SMILES
CC1CN(c2ccc(S(C)(=O)=O)cc2F)CCN1- InChIKey
GIUNKEHKYNKZGE-UHFFFAOYSA-N- Molecular formula
- C12H17FN2O2S
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.09947712
Names & identifiers
- Preferred name
- 1-[2-Fluoro-4-(methylsulfonyl)phenyl]-3-methylpiperazine
- IUPAC
- 1-(2-fluoro-4-methylsulfonylphenyl)-3-methylpiperazine
- English name
- 1-[2-FLUORO-4-(METHYLSULFONYL)PHENYL]-3-METHYLPIPERAZINE
- Molecular formula
- C12H17FN2O2S
- Molecular weight
- 272.34
Names & synonyms
914637-61-91-[2-Fluoro-4-(methylsulfonyl)phenyl]-3-methylpiperazine1-[2-fluoro-4-(methylsulphonyl)phenyl]-3-methylpiperazine1-(2-fluoro-4-methanesulfonylphenyl)-3-methylpiperazine1-(2-fluoro-4-methylsulfonylphenyl)-3-methylpiperazine1-(2-Fluoro-4-(methylsulfonyl)phenyl)-3-methylpiperazineSCHEMBL2595344MFCD08692476AKOS015854332DB-345604F035016Piperazine, 1-[2-fluoro-4-(methylsulfonyl)phenyl]-3-methyl-
Show more names
(cis)-1-(2-Fluoro-4-(methylsulfonyl)phenyl)-3-methylpiperazine
Database identifiers
- CAS
914637-61-9- PubChem CID
- 44717453
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 90 · 90-92
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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