200,000+ products from a single source!
sales@angenechem.com
10166-05-9 | Isoquinoline, 4-(phenylmethyl)-
CAS No: 10166-05-9 Catalog No: AG00054H MDL No:
Product Description
Catalog Number:
AG00054H
Chemical Name:
Isoquinoline, 4-(phenylmethyl)-
CAS Number:
10166-05-9
Molecular Formula:
C16H13N
Molecular Weight:
219.2811
IUPAC Name:
4-benzylisoquinoline
InChI:
InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-15-12-17-11-14-8-4-5-9-16(14)15/h1-9,11-12H,10H2
InChI Key:
MXOJQXCHSCJYKX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cc1cncc2c1cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.287g/mol
Monoisotopic Mass:
219.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.