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3792-71-0 | 1H-Isoindole, 2,3-dihydro-1,1,3,3-tetraethyl-2-(phenylmethyl)-
CAS No: 3792-71-0 Catalog No: AG00779C MDL No:
Product Description
Catalog Number:
AG00779C
Chemical Name:
1H-Isoindole, 2,3-dihydro-1,1,3,3-tetraethyl-2-(phenylmethyl)-
CAS Number:
3792-71-0
Molecular Formula:
C23H31N
Molecular Weight:
321.4989
IUPAC Name:
2-benzyl-1,1,3,3-tetraethylisoindole
InChI:
InChI=1S/C23H31N/c1-5-22(6-2)20-16-12-13-17-21(20)23(7-3,8-4)24(22)18-19-14-10-9-11-15-19/h9-17H,5-8,18H2,1-4H3
InChI Key:
BKSAPSGOAYTZQK-UHFFFAOYSA-N
SMILES:
CCC1(CC)c2ccccc2C(N1Cc1ccccc1)(CC)CC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.508g/mol
Monoisotopic Mass:
321.246g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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