Basic information
- CAS
21102-27-2- Standard SMILES
O=C1C=C(NCCO)C(=O)c2ccccc21- InChIKey
HDOTXWTUYIFUQH-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethylamino)-1,4-naphthoquinone
- IUPAC
- 2-(2-hydroxyethylamino)naphthalene-1,4-dione
Names & synonyms
21102-27-22-((2-hydroxyethyl)amino)naphthalene-1,4-dione2-[(2-HYDROXYETHYL)AMINO]NAPHTHALENE-1,4-DIONE2-(2-Hydroxyethylamino)-1,4-naphthoquinoneCHEMBL351927SCHEMBL14764737DTXSID70345410HDOTXWTUYIFUQH-UHFFFAOYSA-N2-[(2-Hydroxyethyl)amino]naphthoquinone #
Database identifiers
- CAS
21102-27-2- PubChem CID
- 604273
- DTXSID
DTXSID70345410- ChEMBL
CHEMBL351927、CHEMBL462058- Nikkaji
- J458.149K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
LogP1.23
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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