Basic information
- CAS
1509-60-0- Standard SMILES
CN(C)Cc1cc(O)c(O)c(CN(C)C)c1- InChIKey
GRBCQHDFWCSCPX-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247789
Names & identifiers
- Preferred name
- 3,5-Bis((dimethylamino)methyl)-1,2-benzenediol
- IUPAC
- 3,5-bis[(dimethylamino)methyl]benzene-1,2-diol
Names & synonyms
NSC392251509-60-0NSC-392253,5-bis((dimethylamino)methyl)-1,2-benzenediol3,5-bis[(dimethylamino)methyl]benzene-1,2-diolNCIStruc1_000425NCIStruc2_000336CHEMBL1535057SCHEMBL13038516DTXSID90284832NCI39225CCG-37942
Show more names
NCGC00013458NCGC00013458-02NCGC00096573-01NCI60_003707
Database identifiers
- CAS
1509-60-0- PubChem CID
- 236602
- DTXSID
DTXSID90284832- ChEMBL
CHEMBL1535057
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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