200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 828277-25-4
828277-25-4 | Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-5-phenoxy-
CAS No: 828277-25-4 Catalog No: AG0055P4 MDL No:
Product Description
Catalog Number:
AG0055P4
Chemical Name:
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-5-phenoxy-
CAS Number:
828277-25-4
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
IUPAC Name:
2-methyl-5-phenoxy-3,4,5,6,7,8-hexahydro-1H-isoquinoline
InChI:
InChI=1S/C16H21NO/c1-17-11-10-15-13(12-17)6-5-9-16(15)18-14-7-3-2-4-8-14/h2-4,7-8,16H,5-6,9-12H2,1H3
InChI Key:
GOFGHFURVDUNAJ-UHFFFAOYSA-N
SMILES:
CN1CCC2=C(C1)CCCC2Oc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.