N-(4-Hydroxy-2-methylphenyl)acetamide - CAS 39495-15-3
Catalog: |
BB058840 |
Product Name: |
N-(4-Hydroxy-2-methylphenyl)acetamide |
CAS: |
39495-15-3 |
Synonyms: |
2-Methylacetaminophen;2-Methylparacetamol;4-Acetamido-3-methylphenol;4-Acetylamino-3-methylphenol;4-Acetylamino-m-cresol;4'-Hydroxy-o-acetyltoluidide;m-Methyl-p-acetylaminophenol |
IUPAC Name: | N-(4-hydroxy-2-methylphenyl)acetamide |
Description: | N-(4-Hydroxy-2-methylphenyl)acetamide is a useful compound for monitoring o-toluidine in urine that has been pretreated via enyzmatic deconjugation. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)O)NC(=O)C |
InChI: | InChI=1S/C9H11NO2/c1-6-5-8(12)3-4-9(6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11) |
InChI Key: | JPLCVGBNQZNQBO-UHFFFAOYSA-N |
References: | Eitaki, Y., et al. J. Occup. Health, 61, 349 (2019). |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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