3-(Benzenesulfonyl-phenyl-amino)-propionic acid
Basic information
- CAS
101090-64-6- Standard SMILES
O=C(O)CCN(c1ccccc1)S(=O)(=O)c1ccccc1- InChIKey
YHCHKHPWQVJCBP-UHFFFAOYSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
Names & identifiers
- Preferred name
- 3-(Benzenesulfonyl-phenyl-amino)-propionic acid
- IUPAC
- 3-[N-(benzenesulfonyl)anilino]propanoic acid
- English name
- 3-(Benzenesulfonyl-phenyl-amino)-propionic acid
- Molecular formula
- C15H15NO4S
- Molecular weight
- 305.35
Names & synonyms
3-(Benzenesulfonyl-phenyl-amino)-propionic acid101090-64-63-[N-(benzenesulfonyl)anilino]propanoic acid3-(N-Phenylphenylsulfonamido)propanoic acidNSC108801Oprea1_080133Oprea1_276795SCHEMBL2006245AKOS000297189NSC-1088013-[(phenylsulfonyl)anilino]propanoic acid3-(N-Phenylphenylsulfonamido)propanoicacid
Show more names
β-Alanine, N-phenyl-N-(phenylsulfonyl)-
AG-690/12094164
Database identifiers
- CAS
101090-64-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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