3-Acetamido-2,4-dimethylphenol - CAS 100445-95-2
Catalog: |
BB075577 |
Product Name: |
3-Acetamido-2,4-dimethylphenol |
CAS: |
100445-95-2 |
Synonyms: |
N-(3-Hydroxy-2,6-dimethylphenyl)acetamide |
IUPAC Name: | N-(3-hydroxy-2,6-dimethylphenyl)acetamide |
Description: | Used in the preparation of Mepivacaine (M225060) metabolites as well as pyrrolizidine derivatives with antiarrhythmic activity. |
Molecular Weight: | 179.22 |
Molecular Formula: | C10H13NO2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)O)C)NC(=O)C |
InChI: | InChI=1S/C10H13NO2/c1-6-4-5-9(13)7(2)10(6)11-8(3)12/h4-5,13H,1-3H3,(H,11,12) |
InChI Key: | TVLUGNBVBWVYLD-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | Orange Solid |
Storage: | -20°C |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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