2,5-Cyclohexadiene-1,4-dione, 5-((2-hydroxyethyl)methylamino)-2,3-dimethyl-
Basic information
- CAS
2158-77-2- Standard SMILES
CC1=C(C)C(=O)C(N(C)CCO)=CC1=O- InChIKey
KRIOFPSCZKHPEZ-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 5-((2-hydroxyethyl)methylamino)-2,3-dimethyl-
- IUPAC
- 5-[2-hydroxyethyl(methyl)amino]-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
DTXSID901759382,5-Cyclohexadiene-1,4-dione, 5-((2-hydroxyethyl)methylamino)-2,3-dimethyl-2158-77-2RefChem:247224DTXCID00984292,5-Cyclohexadiene-1,4-dione,5-[(2-hydroxyethyl)methylamino]-2,3-dimethyl-5-[(2-hydroxyethyl)(methyl)amino]-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
Database identifiers
- CAS
2158-77-2- PubChem CID
- 137459
- DTXSID
DTXSID90175938- Nikkaji
- J1.373.857B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 366
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Related reactions
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Compound notes
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