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78592-91-3 | 4,4-Dimethyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 78592-91-3 Catalog No: AG00527S MDL No:MFCD08234528
Product Description
Catalog Number:
AG00527S
Chemical Name:
4,4-Dimethyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
78592-91-3
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD08234528
IUPAC Name:
4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3
InChI Key:
QOWZBQAJZICMKD-UHFFFAOYSA-N
SMILES:
CC1(C)CNCc2c1cccc2
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:
2.2
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