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68263-23-0 | Isoquinoline, 1,2,3,4-tetrahydro-1-(2-phenylethyl)-
CAS No: 68263-23-0 Catalog No: AG006CYF MDL No:MFCD09886755
Product Description
Catalog Number:
AG006CYF
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-(2-phenylethyl)-
CAS Number:
68263-23-0
Molecular Formula:
C17H19N
Molecular Weight:
237.3395
MDL Number:
MFCD09886755
IUPAC Name:
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C17H19N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9,17-18H,10-13H2
InChI Key:
UKUJIVVXTYWNIO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCC1NCCc2c1cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.346g/mol
Monoisotopic Mass:
237.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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