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76068-85-4 | Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-
CAS No: 76068-85-4 Catalog No: AG005GGG MDL No:
Product Description
Catalog Number:
AG005GGG
Chemical Name:
Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-1-methyl-
CAS Number:
76068-85-4
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
2,2-dimethyl-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
InChI:
InChI=1S/C15H21NO/c1-11-13-8-6-5-7-12(13)9-10-16(11)14(17)15(2,3)4/h5-8,11H,9-10H2,1-4H3
InChI Key:
JNPKHHCDJVYNCJ-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)N1CCc2c(C1C)cccc2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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