Ethyl anthranilate
PubChem CID: 6877
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| Compound Synonyms | ETHYL ANTHRANILATE, Ethyl 2-aminobenzoate, 87-25-2, Ethyl o-aminobenzoate, Anthranilic acid, ethyl ester, 2-Aminobenzoic acid ethyl ester, 2-Carboethoxyaniline, o-(Ethoxycarbonyl)aniline, Benzoic acid, o-amino-, ethyl ester, Benzoic acid, 2-amino-, ethyl ester, 2-(Ethoxycarbonyl)aniline, FEMA No. 2421, CCRIS 6238, HSDB 404, 2-Aminobenzoic acid, ethyl ester, NSC 4146, EINECS 201-735-1, UNII-38Y050IUE4, BRN 0878874, ethyl-o-aminobenzoate, 1333-08-0, DTXSID6025272, AI3-02377, 38Y050IUE4, NSC-4146, MFCD00007711, 37-25-2, Anthranilic Acid Ethyl Ester, ETHYL-2-AMINOBENZOATE, DTXCID805272, ETHYL ANTHRANILATE [FCC], Anthranilic acid, ethyl ester (6CI,7CI,8CI), ETHYL ANTHRANILATE [FHFI], ETHYL ANTHRANILATE [HSDB], 2-Amino-benzoic acid ethyl ester, Tetracaine Impurity 6, aniline, 2-ethoxycarbonyl-, CAS-87-25-2, o-carbethoxyaniline, 2Carboethoxyaniline, Ethyl oaminobenzoate, Ethyl 2aminobenzoate, o-ethoxycarbonylaniline, o(Ethoxycarbonyl)aniline, 2(Ethoxycarbonyl)aniline, WLN: ZR BVO2, 2-amino-benzoicaciethylester, Oprea1_179888, SCHEMBL34474, MLS002415730, 2Aminobenzoic acid ethyl ester, ETHYL-ORTHO-AMINOBENZOATE, CHEMBL1332922, SCHEMBL20634912, Ethyl 2-aminobenzoate, >=99%, FEMA 2421, 2-amino benzoic acid ethyl ester, NSC4146, CHEBI:173741, Benzoic acid, oamino, ethyl ester, HMS2268O06, Benzoic acid, 2amino, ethyl ester, Tox21_202019, Tox21_303197, BBL027654, STK386184, AMINOBENZOIC ACID, ETHYL ESTER, AKOS001276737, FE02418, FE70749, O-AMINOBENZOIC ACID, ETHYL ESTER, NCGC00091211-01, NCGC00091211-02, NCGC00257226-01, NCGC00259568-01, SMR001252260, VS-08575, DB-056988, Ethyl 2-aminobenzoate, >=96%, FCC, FG, A0499, CS-0070766, NS00012372, H11236, Q27256834, F0001-2161, 201-735-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Anthranillic acid derivatives |
| Deep Smiles | CCOC=O)cccccc6N |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Ethyl anthranilate is a flavouring ingredient. It is found in citrus prodcuts and fruits such as orange juice, orange peel and concord grape. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-aminobenzoate |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.6 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H11NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | TWLLPUMZVVGILS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| State | Liquid |
| Synonyms | 2-(Ethoxycarbonyl)aniline, 2-Aminobenzoic acid ethyl ester, 2-Aminobenzoic acid, ethyl ester, 2-Carboethoxyaniline, Anthranilic acid, ethyl ester, Anthranilic acid, ethyl ester (6ci,7ci,8ci), Benzoic acid, 2-amino-, ethyl ester, Benzoic acid, o-amino-, ethyl ester, Ethyl 2-aminobenzoate, Ethyl anthranilate, Ethyl o-aminobenzoate, FEMA 2421, o-(Ethoxycarbonyl)aniline, Ethyl 2-aminobenzoic acid, Benzoic acid, O-amino-, ethyl ester, Ethyl O-aminobenzoate, O-(Ethoxycarbonyl)aniline, Ethyl anthranilic acid, ethyl anthranilate |
| Esol Class | Soluble |
| Functional Groups | cC(=O)OC, cN |
| Compound Name | Ethyl anthranilate |
| Kingdom | Organic compounds |
| Exact Mass | 165.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 165.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3 |
| Smiles | CCOC(=O)C1=CC=CC=C1N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzoic acid esters |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1377112 - 2. Outgoing r'ship
FOUND_INto/from Styrax Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1731