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28459-83-8 | Isoquinoline, 1,2,3,4-tetrahydro-3,3-dimethyl-
CAS No: 28459-83-8 Catalog No: AG002VCF MDL No:MFCD00608545
Product Description
Catalog Number:
AG002VCF
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-3,3-dimethyl-
CAS Number:
28459-83-8
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD00608545
IUPAC Name:
3,3-dimethyl-2,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C11H15N/c1-11(2)7-9-5-3-4-6-10(9)8-12-11/h3-6,12H,7-8H2,1-2H3
InChI Key:
LTJQRZGEPZQDLX-UHFFFAOYSA-N
SMILES:
CC1(C)NCc2c(C1)cccc2
Properties
Complexity:
162
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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