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88960-55-8 | Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-
CAS No: 88960-55-8 Catalog No: AG0047JX MDL No:
Product Description
Catalog Number:
AG0047JX
Chemical Name:
Isoquinoline, 3-ethyl-3,4-dihydro-1,3-dimethyl-
CAS Number:
88960-55-8
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
3-ethyl-1,3-dimethyl-4H-isoquinoline
InChI:
InChI=1S/C13H17N/c1-4-13(3)9-11-7-5-6-8-12(11)10(2)14-13/h5-8H,4,9H2,1-3H3
InChI Key:
WCZULFIGZWKRAE-UHFFFAOYSA-N
SMILES:
CCC1(C)Cc2ccccc2C(=N1)C
Properties
Complexity:
244
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:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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