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84010-73-1 | Isoquinoline, 1,2,3,4-tetrahydro-1-(2-methylpropyl)-, (S)-
CAS No: 84010-73-1 Catalog No: AG004U8G MDL No:
Product Description
Catalog Number:
AG004U8G
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-(2-methylpropyl)-, (S)-
CAS Number:
84010-73-1
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
(1S)-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H19N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-6,10,13-14H,7-9H2,1-2H3/t13-/m0/s1
InChI Key:
LCDYBYNFNGTEKK-ZDUSSCGKSA-N
SMILES:
CC(C[C@@H]1NCCc2c1cccc2)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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