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1267865-80-4 | Isoquinoline, 1,2,3,4-tetrahydro-4,7-dimethyl-
CAS No: 1267865-80-4 Catalog No: AG000T8A MDL No:
Product Description
Catalog Number:
AG000T8A
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-4,7-dimethyl-
CAS Number:
1267865-80-4
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
IUPAC Name:
4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H15N/c1-8-3-4-11-9(2)6-12-7-10(11)5-8/h3-5,9,12H,6-7H2,1-2H3
InChI Key:
FLTARDXHEOXMNX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CNCC2C
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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