Basic information
- CAS
52336-29-5- Standard SMILES
Cc1cc(O)c(CC(C)N)cc1O.Cl- InChIKey
ZEMOXYDLQRAYNC-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO2
- Average molar mass
- 217.69 g/mol
- Monoisotopic mass
- 217.0869564
Names & identifiers
- Preferred name
- 2-(2-Aminopropyl)-5-methyl-1,4-benzenediol hydrochloride
- IUPAC
- 2-(2-aminopropyl)-5-methylbenzene-1,4-diol;hydrochloride
Names & synonyms
52336-29-52-(2-Aminopropyl)-5-methyl-1,4-benzenediol hydrochlorideDTXSID009667181,4-Benzenediol, 2-(2-aminopropyl)-5-methyl-, hydrochloride2-(2-Aminopropyl)-5-methylbenzene-1,4-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
52336-29-5- PubChem CID
- 148573
- DTXSID
DTXSID00966718
Properties
Computed structural properties
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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