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972-17-8 | 1-benzyl-4-(2-toluidino)-4-piperidinecarbonitrile
CAS No: 972-17-8 Catalog No: AG005RZ5 MDL No:
Product Description
Catalog Number:
AG005RZ5
Chemical Name:
1-benzyl-4-(2-toluidino)-4-piperidinecarbonitrile
CAS Number:
972-17-8
Molecular Formula:
C20H23N3
Molecular Weight:
305.4167
IUPAC Name:
1-benzyl-4-(2-methylanilino)piperidine-4-carbonitrile
InChI:
InChI=1S/C20H23N3/c1-17-7-5-6-10-19(17)22-20(16-21)11-13-23(14-12-20)15-18-8-3-2-4-9-18/h2-10,22H,11-15H2,1H3
InChI Key:
PZPLFWQZPIAMRU-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)Cc1ccccc1)Nc1ccccc1C
EC Number:
213-541-4
NSC Number:
73008
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.425g/mol
Monoisotopic Mass:
305.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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