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Methyl Anthranilate
CAS: 134-20-3 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
134-20-3
Molecular Formula:
C8H9NO2
Molecular Mass:
151.17 g/mol
Names and Synonyms:
Methyl Anthranilate
Benzoic acid, 2-amino-, methyl ester
Anthranilic acid, methyl ester
Methyl 2-aminobenzoate
Methyl anthranilate
Methyl o-aminobenzoate
2-Aminobenzoic acid methyl ester
2-(Methoxycarbonyl)aniline
o-Carbomethoxyaniline
2-Carbomethoxyaniline
o-Aminobenzoic acid methyl ester
ReJex-iT
Bird Shield
Rejex-iT TP 40
Rejex-iT AP 50
[2-(Methoxycarbonyl)phenyl]amine
o-(Methoxycarbonyl)aniline
NSC 3109
Grain 96-1
Sunarome UVA
Methyl 6-aminobenzoate
Fog Force
RejeX-it Fog Force
2-Amino-1-methylbenzoate
PPC 17F
Identifiers:
SMILES:
COC(=O)c1ccccc1N
InChI:
InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
Key Properties
Boiling Point
256 °C
CAS Common Chemistry
Melting Point
24.5 °C
CAS Common Chemistry
Density
1.17 g/cm³
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 | 151.17 g/mol | CAS Common Chemistry |
| 151.16499999999996 g/mol | RDKit | |
| 151.063328528 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.168 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_anthranilate | CAS Common Chemistry |
| Boiling Point | 256 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VAMXMNNIEUEQDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24.5 °C | CAS Common Chemistry |
| Name | Methyl anthranilate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | 1.0554 | RDKit |
| Molar Refractivity | 42.19390000000001 | RDKit |
