Basic information
- CAS
60059-12-3- Standard SMILES
Cc1c(O)c(O)c(C)c(CCN)c1O- InChIKey
XVCHFWOASRHNAW-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 5-(2-Aminoethyl)-3,6-dimethyl-1,2,4-benzenetriol
- IUPAC
- 5-(2-aminoethyl)-3,6-dimethylbenzene-1,2,4-triol
Names & synonyms
5-(2-Aminoethyl)-3,6-dimethyl-1,2,4-benzenetriol60059-12-3NSC 366249NSC3662495-(2-aminoethyl)-3,6-dimethylbenzene-1,2,4-triolSCHEMBL20838453DTXSID20208783DS-0055665-(2-aminoethyl)-3,6-dimethyl-benzene-1,2,4-triol
Database identifiers
- CAS
60059-12-3- PubChem CID
- 435247
- DTXSID
DTXSID20208783
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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