5-(2-Aminoethyl)-3,6-dimethylbenzene-1,2,4-triol;hydrobromide
Basic information
- CAS
60059-12-3- Standard SMILES
Br.Cc1c(O)c(O)c(C)c(CCN)c1O- InChIKey
LOHRZCRQBIATSB-UHFFFAOYSA-N- Molecular formula
- C10H16BrNO3
- Average molar mass
- 278.14 g/mol
- Monoisotopic mass
- 277.03136
Names & identifiers
- Preferred name
- 5-(2-Aminoethyl)-3,6-dimethylbenzene-1,2,4-triol;hydrobromide
- IUPAC
- 5-(2-aminoethyl)-3,6-dimethylbenzene-1,2,4-triol;hydrobromide
Names & synonyms
NSC366249NSC-366249
Database identifiers
- CAS
60059-12-3- PubChem CID
- 24200315
Properties
Computed structural properties
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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