β-(DIMETHYLAMINO)-β-ETHYLPHENETHYL ALCOHOL

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key JDCWNZJOVSBOLK-UHFFFAOYSA-N
Smiles CCC(CO)(N(C)C)c1ccccc1
InChI
InChI=1S/C12H19NO/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19N1O1
Molecular Weight 193.15
AlogP 1.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 23.47
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 39068-94-5
NORMAN SUSDAT
PubChem 3016037
ChemSpider 2284050.0
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