(3,4-Diaminophenyl)(4-methylphenyl)-methanone - CAS 42754-53-0
Catalog: |
BB068232 |
Product Name: |
(3,4-Diaminophenyl)(4-methylphenyl)-methanone |
CAS: |
42754-53-0 |
Synonyms: |
(3,4-Diaminophenyl)(p-tolyl)methanone; (3,4-diaminophenyl)-(4-methylphenyl)methanone; (3,4-Diaminophenyl)(4-methylphenyl)-methanone |
IUPAC Name: | (3,4-diaminophenyl)-(4-methylphenyl)methanone |
Description: | An intermediate in the preparation of 4-Methyl Mebendazole (M320155). |
Molecular Weight: | 226.27 |
Molecular Formula: | C14H14N2O |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N |
InChI: | InChI=1S/C14H14N2O/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(16)8-11/h2-8H,15-16H2,1H3 |
InChI Key: | NUHRRFOSFDPLHM-UHFFFAOYSA-N |
Solubility: | Acetone, Ethyl Acetate, Methanol |
Appearance: | Yellow Solid |
Storage: | Refrigerator |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.110613074 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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