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144344-02-5 | Isoquinoline, 2-ethyl-1,2,3,4-tetrahydro-1-(2-propen-1-yl)-
CAS No: 144344-02-5 Catalog No: AG001JDU MDL No:
Product Description
Catalog Number:
AG001JDU
Chemical Name:
Isoquinoline, 2-ethyl-1,2,3,4-tetrahydro-1-(2-propen-1-yl)-
CAS Number:
144344-02-5
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
2-ethyl-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C14H19N/c1-3-7-14-13-9-6-5-8-12(13)10-11-15(14)4-2/h3,5-6,8-9,14H,1,4,7,10-11H2,2H3
InChI Key:
OUBBRGOIYOPHCU-UHFFFAOYSA-N
SMILES:
C=CCC1N(CC)CCc2c1cccc2
Properties
Complexity:
211
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:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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