Basic information
- CAS
662116-71-4- Standard SMILES
CS(=O)(=O)N1CCC(N)C1- InChIKey
UDYSDVVJHGYAHB-UHFFFAOYSA-N- Molecular formula
- C5H12N2O2S
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.06194862
Names & identifiers
- Preferred name
- 3-Amino-1-methanesulfonylpyrrolidine
- IUPAC
- 1-methylsulfonylpyrrolidin-3-amine
- English name
- 3-Amino-1-methanesulfonylpyrrolidine
- Molecular formula
- C5H12N2O2S
- Molecular weight
- 164.23
Names & synonyms
662116-71-43-AMINO-1-METHANESULFONYLPYRROLIDINE1-(METHYLSULFONYL)PYRROLIDIN-3-AMINE1-methylsulfonylpyrrolidin-3-amineMFCD121988651-METHANESULFONYLPYRROLIDIN-3-AMINE3-Pyrrolidinamine, 1-(methylsulfonyl)-1-(Methanesulfonyl)pyrrolidin-3-amineSCHEMBL67598SCHEMBL67599CHEMBL4549024DTXSID70693847
Show more names
1-(Methylsulfonyl)1-(methylsulfonyl)-3-Pyrrolidinamine3-Amino-1-(methylsulfonyl)pyrrolidine[1-(Methylsulfonyl)pyrrolidin-3-yl]amine
UDYSDVVJHGYAHB-UHFFFAOYSA-N1-methanesulfonyl-pyrrolidin-3-ylamineAKOS011347590PB17961PB38496SB20017AS-31598SY005629
Database identifiers
- CAS
662116-71-4- PubChem CID
- 53393253
- DTXSID
DTXSID70693847- ChEMBL
CHEMBL4549024
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 279.7 · 279.7±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.68 · 8.68±0.20(Predicted)
- Appearance
- Brown to dark brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers17 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
ATK CHEMICAL COMPANY LIMITED
Related reactions
4 records
Compound notes
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