{[(3,4-Diethoxyphenyl)sulfonyl]amino}acetic acid
Basic information
- CAS
879362-89-7- Standard SMILES
CCOc1ccc(S(=O)(=O)NCC(=O)O)cc1OCC- InChIKey
HPTQKYWBICPVGW-UHFFFAOYSA-N- Molecular formula
- C12H17NO6S
- Average molar mass
- 303.33 g/mol
- Monoisotopic mass
- 303.07765844
Names & identifiers
- Preferred name
- {[(3,4-Diethoxyphenyl)sulfonyl]amino}acetic acid
- IUPAC
- 2-[(3,4-diethoxyphenyl)sulfonylamino]acetic acid
- English name
- 1-[4-(CHLOROACETYL)PIPERAZIN-1-YL]CYCLOHEXANECARBONITRILE
- Molecular formula
- C12H17NO6S
- Molecular weight
- 303.33
Names & synonyms
879362-89-72-(3,4-Diethoxyphenylsulfonamido)acetic acid{[(3,4-diethoxyphenyl)sulfonyl]amino}acetic acid2-[(3,4-diethoxyphenyl)sulfonylamino]acetic Acid([(3,4-Diethoxyphenyl)sulfonyl]amino)acetic acid2-(3,4-diethoxybenzenesulfonamido)acetic acidMFCD08262846AKOS008045551SB83068N-[(3,4-Diethoxyphenyl)sulfonyl]glycineSY1719352-(3,4-Diethoxyphenylsulfonamido)aceticacid
Show more names
Glycine, N-[(3,4-diethoxyphenyl)sulfonyl]-N-[(3,4-Diethoxyphenyl)sulfonyl]glycine - [C93110]1-[4-(CHLOROACETYL)PIPERAZIN-1-YL]CYCLOHEXANECARBONITRILE
((3,4-DIETHOXYPHENYL)SULFONYL)GLYCINEEN300-24354G36743Z90673233
Database identifiers
- CAS
879362-89-7- PubChem CID
- 9504131
- EC Number
- 129-967-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 491.7 · 491.7±55.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.32 · 3.32±0.10(Predicted)
- Appearance
- White to off-white Solid
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%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…