200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 114021-48-6
114021-48-6 | Isoquinoline, 1-[(1,1-dimethylethyl)dioxy]-1,2,3,4-tetrahydro-2-phenyl-
CAS No: 114021-48-6 Catalog No: AG000AC1 MDL No:
Product Description
Catalog Number:
AG000AC1
Chemical Name:
Isoquinoline, 1-[(1,1-dimethylethyl)dioxy]-1,2,3,4-tetrahydro-2-phenyl-
CAS Number:
114021-48-6
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
1-tert-butylperoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C19H23NO2/c1-19(2,3)22-21-18-17-12-8-7-9-15(17)13-14-20(18)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
InChI Key:
GIYSQRQZNXRMEJ-UHFFFAOYSA-N
SMILES:
CC(OOC1N(CCc2c1cccc2)c1ccccc1)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.