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1333-08-0 | Benzoic acid, amino-, ethyl ester
CAS No: 1333-08-0 Catalog No: AG0014KJ MDL No:
Product Description
Catalog Number:
AG0014KJ
Chemical Name:
Benzoic acid, amino-, ethyl ester
CAS Number:
1333-08-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
ethyl 2-aminobenzoate
InChI:
InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3
InChI Key:
TWLLPUMZVVGILS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1N
EC Number:
201-735-1
UNII:
38Y050IUE4
NSC Number:
4146
FEMA Number:
2421
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Ethyl 2-[3-(3,5-Dinitrobenzo-yl)thio-ureido]benzoate. | Acta crystallographica. Section E, Structure reports online 20110501 |
| Exploring the effect of supramolecular structures of micelles and cyclodextrins on fluorescence emission of local anesthetics. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20110401 |
| Glycan labeling strategies and their use in identification and quantification. | Analytical and bioanalytical chemistry 20100801 |
| Ethyl 2-[3-(4-nitro-benzo-yl)thio-ureido]benzoate. | Acta crystallographica. Section E, Structure reports online 20100401 |
| 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments. | Journal of agricultural and food chemistry 20070725 |
| Quantification of selected aroma-active compounds in Pinot noir wines from different grape maturities. | Journal of agricultural and food chemistry 20061101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| The coinitiator DMABEE induces death by apoptosis and necrosis in human monoblastoid cells. | Clinical oral investigations 20050901 |
| Hydrogen-bonding in 2-aminobenzoyl-alpha-chymotrypsin formed by acylation of the enzyme with isatoic anhydride: IR and mass spectroscopic studies. | Chembiochem : a European journal of chemical biology 20020104 |
| Bilirubin-IXbeta is a marker of meconium, like zinc coproporphyrin. | Journal of pediatric gastroenterology and nutrition 20010301 |
| The dynamics of venous return and response to hypervolemia in the toad, Bufo marinus (L.). | BMC physiology 20010101 |
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