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100608-37-5 | Isoquinoline, 3,4-dihydro-1-(2-methylpropyl)-
CAS No: 100608-37-5 Catalog No: AG0002H8 MDL No:
Product Description
Catalog Number:
AG0002H8
Chemical Name:
Isoquinoline, 3,4-dihydro-1-(2-methylpropyl)-
CAS Number:
100608-37-5
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
1-(2-methylpropyl)-3,4-dihydroisoquinoline
InChI:
InChI=1S/C13H17N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-6,10H,7-9H2,1-2H3
InChI Key:
IOYFDKOAVAATGY-UHFFFAOYSA-N
SMILES:
CC(CC1=NCCc2c1cccc2)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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