Cas no 133-18-6 (Benzoic acid, 2-amino-,2-phenylethyl ester)
133-18-6 structure
Product Name:Benzoic acid, 2-amino-,2-phenylethyl ester
CAS No:133-18-6
MF:C15H15NO2
MW:241.285104036331
CID:156081
Update Time:2025-04-19
Benzoic acid, 2-amino-,2-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-amino-,2-phenylethyl ester
- 2-phenylethyl 2-aminobenzoate
- B-PHENYLETHYL ANTHRANILATE
- Phenethyl Anthranilate
- 2-Phenylethyl anthranilate
- 2-Phenylethyl o-aminobenzoate
- Anthranilic acid,phenethyl ester
- Benzylcarbinyl anthranilate
- Phenylethyl anthranilate
- FEMA 2859
- Phenethylanthranilat
- 2-Phenethyl anthranilate
- 2-phenylethyl-o-aminobenzoate
- PHENYL ETHYL ANTHRANILATE
- benzylcarbinylanthranilate
-
- Inchi： 1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2
- InChI Key： PXWNBAGCFUDYBE-UHFFFAOYSA-N
- SMILES： NC1C(C(OCCC2C=CC=CC=2)=O)=CC=CC=1
Computed Properties
- Exact Mass: 241.11000
- Monoisotopic Mass: 241.110279
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: nothing
- Topological Polar Surface Area: 52.3
Experimental Properties
- Density: 1.0944 (rough estimate)
- Melting Point: 39-44?°C(lit.)
- Boiling Point: 226?°C(lit.)
- Flash Point: >230?°F
- Refractive Index: 1.5200 (estimate)
- PSA: 52.32000
- LogP: 3.24950
- FEMA: 2859 | PHENYLETHYL ANTHRANILATE
Benzoic acid, 2-amino-,2-phenylethyl ester Security Information
- Hazardous Material transportation number：UN 3077 9/PG 3
- WGK Germany：2
- Hazard Category Code： 36/37/38-50/53
- Safety Instruction： 26-37/39-60-61
- RTECS：CB3720000
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38; R50/53
Benzoic acid, 2-amino-,2-phenylethyl ester Related Literature
-
Wanhui Zhang,Chaohai Wei,Guanfeng An Environ. Sci.: Processes Impacts 2015 17 975
-
Kirridharhapany T. Radhakrishnapany,Chee Yan Wong,Fang Khai Tan,Jia Wen Chong,Raymond R. Tan,Kathleen B. Aviso,Jose Isagani B. Janairo,Nishanth G. Chemmangattuvalappil Mol. Syst. Des. Eng. 2020 5 1391
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters
- Natural Products and Extracts Flavors and Fragrances Essential Oils
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