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13605-95-3 | Isoquinoline, 1,2,3,4-tetrahydro-2-(phenylmethyl)-
CAS No: 13605-95-3 Catalog No: AG00809B MDL No:
Product Description
Catalog Number:
AG00809B
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(phenylmethyl)-
CAS Number:
13605-95-3
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
2-benzyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C16H17N/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17/h1-9H,10-13H2
InChI Key:
PYVNEEKPCDOMIN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCc2c(C1)cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Neuromuscular blocking activity and therapeutic potential of mixed-tetrahydroisoquinolinium halofumarates and halosuccinates in rhesus monkeys. | Journal of medicinal chemistry 20030605 |
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