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51650-27-2 | Isoquinoline, 3-methyl-1-(phenylmethyl)-
CAS No: 51650-27-2 Catalog No: AG006UF6 MDL No:
Product Description
Catalog Number:
AG006UF6
Chemical Name:
Isoquinoline, 3-methyl-1-(phenylmethyl)-
CAS Number:
51650-27-2
Molecular Formula:
C17H15N
Molecular Weight:
233.3077
IUPAC Name:
1-benzyl-3-methylisoquinoline
InChI:
InChI=1S/C17H15N/c1-13-11-15-9-5-6-10-16(15)17(18-13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChI Key:
XTZHHVNPYMSJOP-UHFFFAOYSA-N
SMILES:
Cc1nc(Cc2ccccc2)c2c(c1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.314g/mol
Monoisotopic Mass:
233.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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