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1268092-10-9 | Isoquinoline, 1,2,3,4-tetrahydro-4,4,5-trimethyl-
CAS No: 1268092-10-9 Catalog No: AG000T9N MDL No:MFCD19347450
Product Description
Catalog Number:
AG000T9N
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-4,4,5-trimethyl-
CAS Number:
1268092-10-9
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD19347450
IUPAC Name:
4,4,5-trimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17N/c1-9-5-4-6-10-7-13-8-12(2,3)11(9)10/h4-6,13H,7-8H2,1-3H3
InChI Key:
JMTPIOLOZAMDEN-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1C(C)(C)CNC2
Properties
Complexity:
186
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:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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