Glycine, 4-methylbenzenesulfonate
Basic information
- CAS
4571-30-6- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.NCC(=O)O- InChIKey
REKJMSPJAIXEQJ-UHFFFAOYSA-N- Molecular formula
- C9H13NO5S
- Average molar mass
- 247.27 g/mol
- Monoisotopic mass
- 247.05144369
Names & identifiers
- Preferred name
- Glycine, 4-methylbenzenesulfonate
- IUPAC
- 2-aminoacetic acid;4-methylbenzenesulfonic acid
Names & synonyms
Glycine, 4-methylbenzenesulfonate4571-30-6DTXSID90196608RefChem:346282DTXCID90119099glycine tosylateGlycine--4-methylbenzenesulfonic acid (1/1)SCHEMBL5685912Glycine--4-methylbenzene-1-sulfonic acid (1/1)
Database identifiers
- CAS
4571-30-6- PubChem CID
- 6452034
- DTXSID
DTXSID90196608- EC Number
- 681-333-4
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Suppliers
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Related reactions
1 records
Compound notes
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