N-[(2,4-dimethylphenyl)sulfonyl]glycine
Basic information
- CAS
670255-96-6- Standard SMILES
Cc1ccc(S(=O)(=O)NCC(=O)O)c(C)c1- InChIKey
QXSZBHFZFCHZEJ-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.05652907
Names & identifiers
- Preferred name
- N-[(2,4-dimethylphenyl)sulfonyl]glycine
- IUPAC
- 2-[(2,4-dimethylphenyl)sulfonylamino]acetic acid
- English name
- [[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]ACETIC ACID
- Molecular formula
- C10H13NO4S
- Molecular weight
- 243.28
Names & synonyms
670255-96-6N-[(2,4-dimethylphenyl)sulfonyl]glycine2-(2,4-Dimethylphenylsulfonamido)acetic acid[[(2,4-dimethylphenyl)sulfonyl]amino]acetic acid{[(2,4-dimethylphenyl)sulfonyl]amino}acetic acid2-[(2,4-dimethylphenyl)sulfonylamino]acetic AcidMFCD05986314N-(2,4-Dimethylbenzene-1-sulfonyl)glycine2-(2,4-dimethylbenzenesulfonamido)acetic acid([(2,4-DIMETHYLPHENYL)SULFONYL]AMINO)ACETIC ACIDN-((2,4-DIMETHYLPHENYL)SULFONYL)GLYCINECBKinase1_004118
Show more names
Glycine, N-[(2,4-dimethylphenyl)sulfonyl]-N-[(2,4-dimethylphenyl)sulfonyl]glycine(SALTDATA: FREE)
CBKinase1_016518DTXSID20366938UKRORGSYN-BB BBV-199342((2,4-dimethylphenyl)sulfonyl)glycineAKOS002384039OTAVA-BB 7116410545BS-38409N-[(2,4-dimethylphenyl)sulfonyl]-Gly-OH
Database identifiers
- CAS
670255-96-6- PubChem CID
- 2196273
- DTXSID
DTXSID20366938
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 110 · 110-111 °C
- Boiling point
- 440.7 · 440.7±55.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 3.34 · 3.34±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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