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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 Weight:
151.16499999999996 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.17 g/mol | Legacy Database |
| density | 1.17 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Methyl_anthranilate | Legacy Database | |
| cas-boiling-point | 256 °C | Legacy Database | |
| cas-canonical-smile | O=C(OC)C=1C=CC=CC1N | Legacy Database | |
| cas-density | 1.168 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=VAMXMNNIEUEQDV-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 24.5 °C | Legacy Database | |
| cas-name | Methyl anthranilate | Legacy Database | |
| wikipedia-name | Methyl anthranilate | Legacy Database | |
| LogP | 1.0554 | RDKit | |
| Molecular | Molecular Weight | 151.16499999999996 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.063328528 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 52.32 Ų | RDKit |
| Molar | Molar Refractivity | 42.19390000000001 | RDKit |
