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1267002-79-8 | 3,3,5-trimethyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 1267002-79-8 Catalog No: AG01AND6 MDL No:MFCD19347448
Product Description
Catalog Number:
AG01AND6
Chemical Name:
3,3,5-trimethyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1267002-79-8
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD19347448
IUPAC Name:
3,3,5-trimethyl-2,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17N/c1-9-5-4-6-10-8-13-12(2,3)7-11(9)10/h4-6,13H,7-8H2,1-3H3
InChI Key:
HGVVIBKWWWCIOB-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1CC(C)(C)NC2
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:
2.3
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