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41565-97-3 | 1,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 41565-97-3 Catalog No: AG00C622 MDL No:MFCD00652585
Product Description
Catalog Number:
AG00C622
Chemical Name:
1,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
41565-97-3
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD00652585
IUPAC Name:
1,3,3-trimethyl-2,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17N/c1-9-11-7-5-4-6-10(11)8-12(2,3)13-9/h4-7,9,13H,8H2,1-3H3
InChI Key:
JPJDSRANHWZZEB-UHFFFAOYSA-N
SMILES:
CC1NC(C)(C)Cc2c1cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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