Basic information
- CAS
40184-38-1- Standard SMILES
Nc1ccc(OCCOS(=O)(=O)O)cc1- InChIKey
JRJFJFUPGABGSY-UHFFFAOYSA-N- Molecular formula
- C8H11NO5S
- Average molar mass
- 233.24 g/mol
- Monoisotopic mass
- 233.03579362
Names & identifiers
- Preferred name
- Ethanol, 2-(4-aminophenoxy)-, 1-(hydrogen sulfate)
- IUPAC
- 2-(4-aminophenoxy)ethyl hydrogen sulfate
- English name
- 2-(4-aminophenoxy)ethyl hydrogen sulphate
- Molecular formula
- C8H11NO5S
- Molecular weight
- 233.24
Names & synonyms
2-(4-Aminophenoxy)ethyl hydrogen sulphate2-(4'-Aminophenoxy)ethyl hydrogen sulfateEINECS 254-828-4Ethanol, 2-(4-aminophenoxy)-, hydrogen sulfate (ester)DTXSID7068217Sulfuric acid, 2-((4-aminophenyl)oxy)ethyl ester2-(4-Aminophenoxy)ethanol hydrogen sulfate (ester)Ethanol, 2-(4-aminophenoxy)-, 1-(hydrogen sulfate)RefChem:138282DTXCID0039726254-828-440184-38-1
Show more names
Sulfuric acid, 2-[(4-aminophenyl)oxy]ethyl esterSulfuric acid hydrogen 2-(4-aminophenoxy)ethyl ester
2-(4-aminophenoxy)ethyl hydrogen sulfate1-amino-4-(2-sulfooxyethoxy)benzeneSCHEMBL11658166JRJFJFUPGABGSY-UHFFFAOYSA-NNS00030738
Database identifiers
- CAS
40184-38-1- PubChem CID
- 170282
- DTXSID
DTXSID7068217- EC Number
- 254-828-4
- Nikkaji
- J332.380C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- pka
- -3.66 · -3.66±0.18(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-(4-aminophenoxy)-, hydrogen sulfate (ester) (40184-38-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-(4-aminophenoxy)-, 1-(hydrogen sulfate): ACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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