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802302-03-0 | Isoquinoline, 1-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS No: 802302-03-0 Catalog No: AG005NLB MDL No:
Product Description
Catalog Number:
AG005NLB
Chemical Name:
Isoquinoline, 1-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS Number:
802302-03-0
Molecular Formula:
C23H23N
Molecular Weight:
313.4354
IUPAC Name:
1-(2,2-diphenylethyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C23H23N/c1-3-9-18(10-4-1)22(19-11-5-2-6-12-19)17-23-21-14-8-7-13-20(21)15-16-24-23/h1-14,22-24H,15-17H2
InChI Key:
GXJZAPYTAYOUNL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(c1ccccc1)CC1NCCc2c1cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
313.444g/mol
Monoisotopic Mass:
313.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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