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Home > Quinoline > 113417-33-7
113417-33-7 | Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(phenylmethyl)-
CAS No: 113417-33-7 Catalog No: AG0008IY MDL No:
Product Description
Catalog Number:
AG0008IY
Chemical Name:
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(phenylmethyl)-
CAS Number:
113417-33-7
Molecular Formula:
C18H19N
Molecular Weight:
249.3502
IUPAC Name:
1-benzyl-3,3-dimethyl-4H-isoquinoline
InChI:
InChI=1S/C18H19N/c1-18(2)13-15-10-6-7-11-16(15)17(19-18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChI Key:
DGPOQLXNIPOONU-UHFFFAOYSA-N
SMILES:
CC1(C)Cc2ccccc2C(=N1)Cc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.357g/mol
Monoisotopic Mass:
249.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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