3-(3-Methoxy-5-methylanilino)propane-1-sulfonic acid
Basic information
- CAS
766502-50-5- Standard SMILES
COc1cc(C)cc(NCCCS(=O)(=O)O)c1- InChIKey
DYPGTLUYQZIULN-UHFFFAOYSA-N- Molecular formula
- C11H17NO4S
- Average molar mass
- 259.32 g/mol
- Monoisotopic mass
- 259.0878292
Names & identifiers
- Preferred name
- 3-(3-Methoxy-5-methylanilino)propane-1-sulfonic acid
- IUPAC
- 3-(3-methoxy-5-methylanilino)propane-1-sulfonic acid
- English name
- N-(3-sulfopropyl)- 3-Methoxy-5-Methylaniline
- Molecular formula
- C11H17NO4S
- Molecular weight
- 259.32
Names & synonyms
766502-50-53-(3-methoxy-5-methylanilino)propane-1-sulfonic acidN-3-(Sulfopropyl)-3-methoxy-5-methylaniline3-((3-METHOXY-5-METHYLPHENYL)AMINO)PROPANE-1-SULFONIC ACID3-[(3-methoxy-5-methylphenyl)amino]propane-1-sulfonic acidN-(3-sulfopropyl)- 3-Methoxy-5-MethylanilineSCHEMBL2111043DTXSID50856635MFCD26142687AKOS032961196DB-352327N-(3-sulfopropyl)-3-methoxy-5methylaniline
Show more names
HMMPS3-[(3-Methoxy-5-methylphenyl)amino]-1-propanesulfonic acid1-Propanesulfonic acid, 3-[(3-methoxy-5-methylphenyl)amino]-
3-(3-methoxy-5-methyl-anilino)propane-1-sulfonic acid3-((3-METHOXY-5-METHYLPHENYL)AMINO)PROPANE-1-SULFONICACID3-[(3-Methoxy-5-methylphenyl)amino]-1-propanesulfonic Acid; HMMPS
Database identifiers
- CAS
766502-50-5- PubChem CID
- 71700019
- DTXSID
DTXSID50856635- Nikkaji
- J2.052.490A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 259 · 259-262°C (dec.)
- Density
- 1.291 · 1.291
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO, Methanol (Slightly)
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesN-3-(Sulfopropyl)-3-methoxy-5-methylaniline is used as a reagent for the evaluation of basic property and long-term stability of reagents for enzymically assaying triglyceride, cholesterol and uric acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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