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4-Benzoylamino-2,5-Dimethoxyaniline
CAS: 6268-05-9 | C15H16N2O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
6268-05-9
Molecular Formula:
C15H16N2O3
Molecular Mass:
272.30 g/mol
Names and Synonyms:
4-Benzoylamino-2,5-Dimethoxyaniline
Benzamide, N-(4-amino-2,5-dimethoxyphenyl)-
Benzanilide, 4′-amino-2′,5′-dimethoxy-
N-(4-Amino-2,5-dimethoxyphenyl)benzamide
Azoene Fast Blue RR Base
Azoene Fast Blue RR Salt
Blue Salt NRR
Daito Blue Base RR
Daito Blue Salt RR
Fast Blue MR Base
Fast Blue RR Base
Fast Blue Salt RR
Fast Navy DR
Hiltonil Fast Blue RR Base
Mitsui Blue RR Salt
Neutrosel Blue R
Sanyo Fast Blue RR Base
Sanyo Fast Blue Salt RR
4′-Amino-2′,5′-dimethoxybenzanilide
5-Amino-2-(benzoylamino)-1,4-dimethoxybenzene
4-Amino-1-(benzoylamino)-3,6-dimethoxybenzene
2,5-Dimethoxy-4-(benzoylamino)aniline
4-Benzoylamino-2,5-dimethoxyaniline
NSC 37139
NSC 50201
Identifiers:
SMILES:
COc1cc(N=C(O)c2ccccc2)c(OC)cc1N
InChI:
InChI=1S/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18)
Key Properties
Melting Point
168 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 272.30 g/mol | CAS Common Chemistry |
| 272.30400000000003 g/mol | RDKit | |
| 272.116092372 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=C(OC)C(N)=CC1OC)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=DDRCIGNRLHTTIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | 4-Benzoylamino-2,5-dimethoxyaniline | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 77.07 Ų | RDKit |
| LogP | 2.922300000000001 | RDKit |
| Molar Refractivity | 79.22620000000003 | RDKit |
