Basic information
- CAS
49773-20-8- Standard SMILES
CS(=O)(=O)CCN- InChIKey
SDNXQWUJWNTDCC-UHFFFAOYSA-N- Molecular formula
- C3H9NO2S
- Average molar mass
- 123.18 g/mol
- Monoisotopic mass
- 123.03539953
Overview
potent stimulator of ATP-dependent calcium uptake; structure given in first source
Names & identifiers
- Preferred name
- 2-(Methylsulfonyl)ethanamine
- IUPAC
- 2-methylsulfonylethanamine
- English name
- 2-Aminoethylmethyl sulfone
- Molecular formula
- C3H9NO2S
- Molecular weight
- 123.17
Names & synonyms
49773-20-82-(methylsulfonyl)ethanamine2-Aminoethylmethyl sulfoneAEMSEthanamine, 2-(methylsulfonyl)-2-aminoethyl methyl sulfoneDTXSID8019803584JQ8U9R8VRefChem:465146DTXCID101205262-methylsulfonylethanamine2-methanesulfonylethan-1-amine
Show more names
3-Aminopropane-1-sulfinateEthanamine, 2-(methylsulfonyl)- HCL2-(methylsulfonyl)ethanamine 0.95HCl2-(methylsulfonyl)ethanamine(SALTDATA: 0.95HCl)
2-(methylsulfonyl)ethaneamine2-aminoethylmethylsulfoneMFCD018625532-(methylsulfonyl)ethan-1-amine2-Aminoethylmethylsulphone2-methanesulphonylethylamine2-(methylsulfonyl)ethylamine2-methanesulphonyl-ethylamine
Database identifiers
- CAS
49773-20-8- PubChem CID
- 4340561
- DTXSID
DTXSID80198035- UNII
- 84JQ8U9R8V
- EC Number
- 610-479-3
- Nikkaji
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 160 °C · 160 °C(Press: 0.02 Torr)
- Density
- 1.223 · 1.223
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.02 · 7.02±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2-(Methylsulfonyl)ethanamine is useful for the synthesis of potent and selective PI3Kδ inhibitors.
Upstream & downstream products
Downstream products
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
275 records
Compound notes
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