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133-18-6 | Benzoic acid, 2-amino-, 2-phenylethyl ester
CAS No: 133-18-6 Catalog No: AG0011HD MDL No:
Product Description
Catalog Number:
AG0011HD
Chemical Name:
Benzoic acid, 2-amino-, 2-phenylethyl ester
CAS Number:
133-18-6
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
2-phenylethyl 2-aminobenzoate
InChI:
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:
O=C(c1ccccc1N)OCCc1ccccc1
EC Number:
205-098-0
UNII:
8HBK71OD81
NSC Number:
66441
FEMA Number:
2859
UN Number:
3077
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| 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 |
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