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Basic information
- CAS
280772-00-1- Standard SMILES
CS(=O)(=O)N1CCC(C(=O)O)CC1- InChIKey
SUGDSKDKCOFIQN-UHFFFAOYSA-N- Molecular formula
- C7H13NO4S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.0565289
Names & identifiers
- Preferred name
- 1-Methanesulfonylpiperidine-4-carboxylic acid
- IUPAC
- 1-methylsulfonylpiperidine-4-carboxylic acid
- English name
- 1-Methanesulfonyl-piperidine-4-carboxylic acid
- Molecular formula
- C7H13NO4S
- Molecular weight
- 207.25
Names & synonyms
1-methanesulfonylpiperidine-4-carboxylic acidRefChem:433463848-516-2280772-00-11-(methylsulfonyl)piperidine-4-carboxylic acid1-Methanesulfonyl-piperidine-4-carboxylic acid1-(methylsulfonyl)-4-piperidinecarboxylic acid1-methylsulfonylpiperidine-4-carboxylic acidMFCD03821886F2148-00344-Piperidinecarboxylic acid, 1-(methylsulfonyl)-MLS000067344
Show more names
AKOS B020815ASISCHEM V09448BUTTPARK 153\33-55ART-CHEM-BB B020815TIMTEC-BB SBB007116
1-(methylsulphonyl)-4-piperidinecarboxylic acid1-(Methylsulphonyl)piperidine-4-carboxylic acidSCHEMBL607186CHEMBL1711178DTXSID20354456SUGDSKDKCOFIQN-UHFFFAOYSA-NHMS1646O21HMS2474C12
Database identifiers
- CAS
280772-00-1- PubChem CID
- 774012
- DTXSID
DTXSID20354456- ChEMBL
CHEMBL1711178
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 160 · 160-162
- Boiling point
- 390.8 · 390.8±52.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- solid
- pka
- 4.38 · 4.38±0.20(Predicted)
- color
- Pale yellow
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS02
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H314-H226
- Precautionary statements
- 501 · P501-P260-P270-P262-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS02
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H300+H310+H330-H314-H226
- Precautionary statements
- P501-P260-P270-P262-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
Chemistry & industry
Suppliers35 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海皓伯化工科技有限公司13918007836 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Related reactions
11 records
Compound notes
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