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21602-70-0 | 2-[4-(1-phenylcyclohexyl)piperazin-1-yl]ethanol- iodomethane(1:1)
CAS No: 21602-70-0 Catalog No: AG007PS7 MDL No:
Product Description
Catalog Number:
AG007PS7
Chemical Name:
2-[4-(1-phenylcyclohexyl)piperazin-1-yl]ethanol- iodomethane(1:1)
CAS Number:
21602-70-0
Molecular Formula:
C19H31IN2O
Molecular Weight:
430.3667
IUPAC Name:
iodomethane;2-[4-(1-phenylcyclohexyl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C18H28N2O.CH3I/c21-16-15-19-11-13-20(14-12-19)18(9-5-2-6-10-18)17-7-3-1-4-8-17;1-2/h1,3-4,7-8,21H,2,5-6,9-16H2;1H3
InChI Key:
SQWUKNIHXJTXPV-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C1(CCCCC1)c1ccccc1.IC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.374g/mol
Monoisotopic Mass:
430.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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