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25927-68-8 | Benzoic acid, 4-[(3-pyridinylmethyl)amino]-, ethyl ester
CAS No: 25927-68-8 Catalog No: AG002R3D MDL No:
Product Description
Catalog Number:
AG002R3D
Chemical Name:
Benzoic acid, 4-[(3-pyridinylmethyl)amino]-, ethyl ester
CAS Number:
25927-68-8
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
ethyl 4-(pyridin-3-ylmethylamino)benzoate
InChI:
InChI=1S/C15H16N2O2/c1-2-19-15(18)13-5-7-14(8-6-13)17-11-12-4-3-9-16-10-12/h3-10,17H,2,11H2,1H3
InChI Key:
HZJRQFQMZRHMRD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NCc1cccnc1
NSC Number:
131159
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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