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N-(4-Amino-5-Methoxy-2-Methylphenyl)Benzamide
CAS: 99-21-8 | C15H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-21-8
Molecular Formula:
C15H16N2O2
Molecular Mass:
256.30 g/mol
Names and Synonyms:
N-(4-Amino-5-Methoxy-2-Methylphenyl)Benzamide
Benzamide, N-(4-amino-5-methoxy-2-methylphenyl)-
m-Benzanisidide, 4′-amino-6′-methyl-
N-(4-Amino-5-methoxy-2-methylphenyl)benzamide
3-Amino-6-benzoylamido-4-methoxy-1-methylbenzol
4′-Amino-6′-methyl-m-benzanisidide
4-Amino-1-benzoylamino-3-methoxy-6-methylbenzene
Fast Violet B
N-(2-Methyl-5-methoxy-4-aminophenyl)benzamide
Identifiers:
SMILES:
COc1cc(N=C(O)c2ccccc2)c(C)cc1N
InChI:
InChI=1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)
Key Properties
Melting Point
185 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.30 g/mol | CAS Common Chemistry |
| 256.305 g/mol | RDKit | |
| 256.121177752 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC(OC)=C(N)C=C1C)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=VENDXQNWODZJGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | N-(4-Amino-5-methoxy-2-methylphenyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 3.222120000000001 | RDKit |
| Molar Refractivity | 77.41120000000004 | RDKit |
