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120086-41-1 | Isoquinoline, 1,2,3,4-tetrahydro-1,3-dimethyl-
CAS No: 120086-41-1 Catalog No: AG000Q99 MDL No:
Product Description
Catalog Number:
AG000Q99
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1,3-dimethyl-
CAS Number:
120086-41-1
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
IUPAC Name:
1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H15N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8-9,12H,7H2,1-2H3
InChI Key:
OASVVFGGGPJVPM-UHFFFAOYSA-N
SMILES:
CC1NC(C)c2c(C1)cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Super acid-induced Pummerer-type cyclization reaction: improvement in the synthesis of chiral 1,3-dimethyl-1,2,3,4-tetrahydroisoquinolines. | Chemical & pharmaceutical bulletin 20030601 |
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