Basic information
- CAS
118546-61-5- Standard SMILES
CS(=O)(=O)N1CCN(Cc2ccccc2)CC1- InChIKey
CKKQEWFEZNDPLJ-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2S
- Average molar mass
- 254.35 g/mol
- Monoisotopic mass
- 254.10889899
Names & identifiers
- Preferred name
- 1-Benzyl-4-methanesulfonyl-piperazine
- IUPAC
- 1-benzyl-4-methylsulfonylpiperazine
- English name
- 1-Benzyl-4-methanesulfonyl-piperazine
- Molecular formula
- C12H18N2O2S
- Molecular weight
- 254.35
Names & synonyms
118546-61-51-Benzyl-4-methanesulfonyl-piperazineDTXSID70354704RefChem:228075DTXCID003057641-benzyl-4-(methylsulfonyl)piperazine1-benzyl-4-methylsulfonylpiperazine1-benzyl-4-methanesulfonylpiperazineMFCD010800281-(methylsulfonyl)-4-(phenylmethyl)Piperazine1-Benzyl-4-(methanesulfonyl)piperazine1-Benzyl-4-[methanesulfonyl]piperazine
Show more names
Piperazine, 1-(methylsulfonyl)-4-(phenylmethyl)-
Oprea1_499782Oprea1_666222SCHEMBL1029651SCHEMBL2979543SCHEMBL4031107CKKQEWFEZNDPLJ-UHFFFAOYSA-NHMS1583C18HMS5161D14
Database identifiers
- CAS
118546-61-5- PubChem CID
- 779507
- DTXSID
DTXSID70354704- Nikkaji
- J2.549.079G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 158 °C · 158 °C
- Boiling point
- 374.5 · 374.5±52.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 5.93 · 5.93±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers24 total
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
赛纳斯特化学（欢迎点击联系）021-60343070
Xunteng International Trading Co.,Limited—
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
南京江恒医药化工有限公司13951936332 18305166317 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
淮安海玻瑞恩医药研发有限公司18114966287 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
11 records
Compound notes
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