N-[1-(4-methoxyphenyl)propan-2-yl]hydroxylamine;4-methylbenzenesulfonic acid
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Basic information
- Standard SMILES
COc1ccc(CC(C)NO)cc1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
XSWBCYQTGNNHAI-UHFFFAOYSA-N- Molecular formula
- C17H23NO5S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12969401
Names & identifiers
- Preferred name
- N-[1-(4-methoxyphenyl)propan-2-yl]hydroxylamine;4-methylbenzenesulfonic acid
- IUPAC
- N-[1-(4-methoxyphenyl)propan-2-yl]hydroxylamine;4-methylbenzenesulfonic acid
Names & synonyms
NSC58742NSC-58742
Database identifiers
- PubChem CID
- 246154
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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