200,000+ products from a single source!
sales@angenechem.com
88422-89-3 | Isoquinoline, 3,4-dihydro-4,4-dimethyl-1-phenyl-
CAS No: 88422-89-3 Catalog No: AG008CWO MDL No:
Product Description
Catalog Number:
AG008CWO
Chemical Name:
Isoquinoline, 3,4-dihydro-4,4-dimethyl-1-phenyl-
CAS Number:
88422-89-3
Molecular Formula:
C17H17N
Molecular Weight:
235.3236
IUPAC Name:
4,4-dimethyl-1-phenyl-3H-isoquinoline
InChI:
InChI=1S/C17H17N/c1-17(2)12-18-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11H,12H2,1-2H3
InChI Key:
BRNYTOQCVNIUDM-UHFFFAOYSA-N
SMILES:
CC1(C)CN=C(c2c1cccc2)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.33g/mol
Monoisotopic Mass:
235.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
© 2019 Angene International Limited. All rights Reserved.