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827309-94-4 | Isoquinoline, 2-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS No: 827309-94-4 Catalog No: AG008JBK MDL No:
Product Description
Catalog Number:
AG008JBK
Chemical Name:
Isoquinoline, 2-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS Number:
827309-94-4
Molecular Formula:
C23H23N
Molecular Weight:
313.4354
IUPAC Name:
2-(2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C23H23N/c1-3-10-20(11-4-1)23(21-12-5-2-6-13-21)18-24-16-15-19-9-7-8-14-22(19)17-24/h1-14,23H,15-18H2
InChI Key:
SVKMMCTYOLVJEH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(c1ccccc1)CN1CCc2c(C1)cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.444g/mol
Monoisotopic Mass:
313.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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