1-(3-Amino-4-methylphenyl)-1-propanone - CAS 103028-85-9
Catalog: |
BB061443 |
Product Name: |
1-(3-Amino-4-methylphenyl)-1-propanone |
CAS: |
103028-85-9 |
Synonyms: |
1-(3-Amino-4-methylphenyl)propan-1-one; 3'-Amino-4'-methyl-propiophenone |
IUPAC Name: | 1-(3-amino-4-methylphenyl)propan-1-one |
Description: | 1-(3-Amino-4-methylphenyl)-1-propanone is an intermediate in the synthesis of 3-Hydroxy Tolperisone Maleate which is a metabolite of Tolperisone (T535475). |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | CCC(=O)C1=CC(=C(C=C1)C)N |
InChI: | InChI=1S/C10H13NO/c1-3-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3,11H2,1-2H3 |
InChI Key: | BAELGKTYNVGTFI-UHFFFAOYSA-N |
References: | Shiozawa, A., et al. Eur. J. Med. Chem. Chim. Ther., 30, 85 (1995),. |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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