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88960-56-9 | Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-
CAS No: 88960-56-9 Catalog No: AG0089K4 MDL No:
Product Description
Catalog Number:
AG0089K4
Chemical Name:
Isoquinoline, 3,3-diethyl-3,4-dihydro-1-methyl-
CAS Number:
88960-56-9
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
3,3-diethyl-1-methyl-4H-isoquinoline
InChI:
InChI=1S/C14H19N/c1-4-14(5-2)10-12-8-6-7-9-13(12)11(3)15-14/h6-9H,4-5,10H2,1-3H3
InChI Key:
JRWSGQMYHCCVGH-UHFFFAOYSA-N
SMILES:
CCC1(CC)Cc2ccccc2C(=N1)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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