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Home > Pyridines > 113411-59-9
113411-59-9 | Pyridine, 1,2,3,6-tetrahydro-4-(2-methoxyphenyl)-1-(phenylmethyl)-
CAS No: 113411-59-9 Catalog No: AG0008I4 MDL No:
Product Description
Catalog Number:
AG0008I4
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-4-(2-methoxyphenyl)-1-(phenylmethyl)-
CAS Number:
113411-59-9
Molecular Formula:
C19H21NO
Molecular Weight:
279.3761
IUPAC Name:
1-benzyl-4-(2-methoxyphenyl)piperidine
InChI:
InChI=1S/C19H23NO/c1-21-19-10-6-5-9-18(19)17-11-13-20(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChI Key:
JFBRSCMBKQCBSZ-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1=CCN(CC1)Cc1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.399g/mol
Monoisotopic Mass:
281.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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