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165753-60-6 | Isoquinoline, 1,2,3,4-tetrahydro-3-(4-methylphenyl)-
CAS No: 165753-60-6 Catalog No: AG001WBN MDL No:
Product Description
Catalog Number:
AG001WBN
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-3-(4-methylphenyl)-
CAS Number:
165753-60-6
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H17N/c1-12-6-8-13(9-7-12)16-10-14-4-2-3-5-15(14)11-17-16/h2-9,16-17H,10-11H2,1H3
InChI Key:
MVIDRUVEIIJUFW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1NCc2c(C1)cccc2
Properties
Complexity:
242
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:
1
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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