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89549-08-6 | Isoquinoline, 1,2,3,4-tetrahydro-2,5,8-trimethyl-
CAS No: 89549-08-6 Catalog No: AG003ZQU MDL No:
Product Description
Catalog Number:
AG003ZQU
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2,5,8-trimethyl-
CAS Number:
89549-08-6
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
2,5,8-trimethyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17N/c1-9-4-5-10(2)12-8-13(3)7-6-11(9)12/h4-5H,6-8H2,1-3H3
InChI Key:
ROMNMDVLVJNLLS-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)c(C)ccc2C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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