Hydron;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2-methoxyphenol;chloride
Basic information
- CAS
1420-27-5- Standard SMILES
COc1cc(C(O)CNC(C)C)ccc1O.[Cl-].[H+]- InChIKey
FBJGAKKBRRBUOG-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO3
- Average molar mass
- 261.74 g/mol
- Monoisotopic mass
- 261.1131712
Overview
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Names & identifiers
- Preferred name
- Hydron;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2-methoxyphenol;chloride
- IUPAC
- hydron;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2-methoxyphenol;chloride
Names & synonyms
SCHEMBL5319662NS00126775
Database identifiers
- CAS
1420-27-5- PubChem CID
- 69403249
Properties
Computed structural properties
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
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Compound notes
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