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110841-71-9 | 4-methyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 110841-71-9 Catalog No: AG0092J0 MDL No:MFCD09036169
Product Description
Catalog Number:
AG0092J0
Chemical Name:
4-methyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
110841-71-9
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
MDL Number:
MFCD09036169
IUPAC Name:
4-methyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H13N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8,11H,6-7H2,1H3
InChI Key:
TWIPIAJYKZMIPL-UHFFFAOYSA-N
SMILES:
CC1CNCc2c1cccc2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.221g/mol
Monoisotopic Mass:
147.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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