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111783-56-3 | Isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-2,4-dimethyl-, cis-
CAS No: 111783-56-3 Catalog No: AG007S4V MDL No:
Product Description
Catalog Number:
AG007S4V
Chemical Name:
Isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-2,4-dimethyl-, cis-
CAS Number:
111783-56-3
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
1-ethyl-2,4-dimethyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19N/c1-4-13-12-8-6-5-7-11(12)10(2)9-14(13)3/h5-8,10,13H,4,9H2,1-3H3
InChI Key:
PYOQKQFFOQJVNY-UHFFFAOYSA-N
SMILES:
CC[C@@H]1N(C)C[C@@H](c2c1cccc2)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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