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79700-61-1 | Pyrrolidine,1-[1-[(2-methylpropoxy)methyl]-2-[[1-(1-propyn-1-yl)cyclohexyl]oxy]ethyl]-
CAS No: 79700-61-1 Catalog No: AG0050UQ MDL No:
Product Description
Catalog Number:
AG0050UQ
Chemical Name:
Pyrrolidine,1-[1-[(2-methylpropoxy)methyl]-2-[[1-(1-propyn-1-yl)cyclohexyl]oxy]ethyl]-
CAS Number:
79700-61-1
Molecular Formula:
C20H35NO2
Molecular Weight:
321.4974
IUPAC Name:
1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxypropan-2-yl]pyrrolidine
InChI:
InChI=1S/C20H35NO2/c1-4-10-20(11-6-5-7-12-20)23-17-19(16-22-15-18(2)3)21-13-8-9-14-21/h18-19H,5-9,11-17H2,1-3H3
InChI Key:
FITWYAUFKJXWPL-UHFFFAOYSA-N
SMILES:
CC#CC1(CCCCC1)OCC(N1CCCC1)COCC(C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.267g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.505g/mol
Monoisotopic Mass:
321.267g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Effects of bepridil and CERM 4205 (ORG 30701) on the relation between cardiac cycle length and QT duration in healthy volunteers. | The American journal of cardiology 19900901 |
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