Basic information
- CAS
42908-33-8- Standard SMILES
Cc1ccc(S(=O)(=O)NCCC(=O)O)cc1- InChIKey
PPDKUGSOVUQARL-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.05652907
Names & identifiers
- Preferred name
- 3-(4-Methylbenzenesulfonamido)propanoic acid
- IUPAC
- 3-[(4-methylphenyl)sulfonylamino]propanoic acid
- English name
- 3-(TOLUENE-4-SULFONYLAMINO)-PROPIONIC ACID
- Molecular formula
- C10H13NO4S
- Molecular weight
- 243.28
Names & synonyms
3-(4-methylbenzenesulfonamido)propanoic acidRefChem:493292975-758-742908-33-83-(Toluene-4-sulfonylamino)-propionic acidN-[(4-Methylphenyl)sulfonyl]-beta-alanine3-(4-Methylphenylsulfonamido)propanoic acid3-[(4-methylphenyl)sulfonylamino]propanoic acidMFCD004536933-((4-methylphenyl)sulfonamido)propanoic acidbeta-alanine, N-[(4-methylphenyl)sulfonyl]-3-(p-Tolylsulfonylamino)propanoic acid
Show more names
N-[(4-Methylphenyl)sulfonyl]-β-alanine3-((4-methylphenyl)sulfonamido)propanoicacid3-[(4-methylphenyl)sulfonylamino]propionic acid
Propionic acid, 3-(4-tolylsulfonylamido)-N-(4-Methylbenzene-1-sulfonyl)-beta-alanine3-{[(4-methylphenyl)sulfonyl]amino}propanoic acidSR-01000510752NSC105599N-|A-Ala(Tosyl)-OHCBKinase1_000024CBKinase1_012424
Database identifiers
- CAS
42908-33-8- PubChem CID
- 266802
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers27 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
深圳羽众医药科技有限公司13632427122;13414494621 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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