Basic information
- CAS
1037798-64-3- Standard SMILES
C[C@H](N)c1ccc(S(C)(=O)=O)cc1- InChIKey
XJAMLZUKCSRXAF-ZETCQYMHSA-N- Molecular formula
- C9H13NO2S
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.06669983
Names & identifiers
- Preferred name
- (S)-1-(4-(Methylsulfonyl)phenyl)ethanamine
- IUPAC
- (1S)-1-(4-methylsulfonylphenyl)ethanamine
- English name
- Benzenemethanamine, .alpha.-methyl-4-(methylsulfonyl)-, (.alpha.S)-
- Molecular formula
- C9H13NO2S
- Molecular weight
- 199.27
Names & synonyms
(S)-1-(4-(Methylsulfonyl)phenyl)ethanamine1037798-64-3(1S)-1-(4-methylsulfonylphenyl)ethanamineMFCD06761968(1S)-1-(4-methanesulfonylphenyl)ethan-1-amineSCHEMBL8182080DTXSID40426124CS-D0008AKOS010366059AS-38631DB-328048EN300-58614
Show more names
(S)-1-(4-(methylsulfonyl)phenyl)ethan-1-amineBenzenemethanamine, α-methyl-4-(methylsulfonyl)-, (αS)-
F233001(1S)-1-[4-(Methanesulfonyl)phenyl]ethan-1-amineBenzenemethanamine, .alpha.-methyl-4-(methylsulfonyl)-, (.alpha.S)-
Database identifiers
- CAS
1037798-64-3- PubChem CID
- 6931007
- DTXSID
DTXSID40426124
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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-P305+P351+P338
Chemistry & industry
Suppliers11 total
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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