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929196-34-9 | ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-METHYL-2-(2-PROPEN-1-YL)-
CAS No: 929196-34-9 Catalog No: AG0067KC MDL No:
Product Description
Catalog Number:
AG0067KC
Chemical Name:
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-METHYL-2-(2-PROPEN-1-YL)-
CAS Number:
929196-34-9
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
1-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H17N/c1-3-9-14-10-8-12-6-4-5-7-13(12)11(14)2/h3-7,11H,1,8-10H2,2H3
InChI Key:
RKDSHSPSWLJWMU-UHFFFAOYSA-N
SMILES:
C=CCN1CCc2c(C1C)cccc2
Properties
Complexity:
199
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:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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