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132725-65-6 | Isoquinoline, 5,6,7,8-tetrahydro-5-(phenylmethyl)-
CAS No: 132725-65-6 Catalog No: AG001129 MDL No:
Product Description
Catalog Number:
AG001129
Chemical Name:
Isoquinoline, 5,6,7,8-tetrahydro-5-(phenylmethyl)-
CAS Number:
132725-65-6
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
5-benzyl-5,6,7,8-tetrahydroisoquinoline
InChI:
InChI=1S/C16H17N/c1-2-5-13(6-3-1)11-14-7-4-8-15-12-17-10-9-16(14)15/h1-3,5-6,9-10,12,14H,4,7-8,11H2
InChI Key:
ISGLYCNQWZCTCK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1CCCc2c1ccnc2
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:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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