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Home > Pyridines > 1139692-14-0
1139692-14-0 | 4-[3-Cyano-1,1-bis-(2-cyano-ethyl)-propyl]-1-(2-pyridin-2-yl-ethyl)-pyridinium chloride
CAS No: 1139692-14-0 Catalog No: AG01F2C3 MDL No:MFCD06637453
Product Description
Catalog Number:
AG01F2C3
Chemical Name:
4-[3-Cyano-1,1-bis-(2-cyano-ethyl)-propyl]-1-(2-pyridin-2-yl-ethyl)-pyridinium chloride
CAS Number:
1139692-14-0
Molecular Formula:
C22H24ClN5
Molecular Weight:
393.9125
MDL Number:
MFCD06637453
IUPAC Name:
4-(2-cyanoethyl)-4-[1-(2-pyridin-2-ylethyl)pyridin-1-ium-4-yl]heptanedinitrile;chloride
InChI:
InChI=1S/C22H24N5.ClH/c23-13-3-10-22(11-4-14-24,12-5-15-25)20-7-17-27(18-8-20)19-9-21-6-1-2-16-26-21;/h1-2,6-8,16-18H,3-5,9-12,19H2;1H/q+1;/p-1
InChI Key:
DLBPOLVGOZFWGB-UHFFFAOYSA-M
SMILES:
N#CCCC(c1cc[n+](cc1)CCc1ccccn1)(CCC#N)CCC#N.[Cl-]
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.172g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.919g/mol
Monoisotopic Mass:
393.172g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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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