4-[Bis(2-hydroxyethyl)amino]benzene-1,2-diol
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Basic information
- CAS
802830-84-8- Standard SMILES
OCCN(CCO)c1ccc(O)c(O)c1- InChIKey
MLMYGNBKVMKNFC-UHFFFAOYSA-N- Molecular formula
- C10H15NO4
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.10010796
Names & identifiers
- Preferred name
- 4-[Bis(2-hydroxyethyl)amino]benzene-1,2-diol
- IUPAC
- 4-[bis(2-hydroxyethyl)amino]benzene-1,2-diol
- English name
- Ethanol, 2,2-[(3,4-dihydroxyphenyl)imino]di- (8CI)
- Molecular formula
- C10H15NO4
- Molecular weight
- 213.23
Names & synonyms
SCHEMBL29016693SCHEMBL304267661,2-Benzenediol, 4-[bis(2-hydroxyethyl)amino]-Ethanol, 2,2-[(3,4-dihydroxyphenyl)imino]di- (8CI)
Database identifiers
- CAS
802830-84-8- PubChem CID
- 45093282
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 504.5 · 504.5±50.0 °C(Predicted)
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- pka
- 10 · 10.00±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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