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1267035-14-2

1267035-14-2 | Isoquinoline, 1,2,3,4-tetrahydro-5,8-dimethoxy-4,4-dimethyl-

CAS No: 1267035-14-2 Catalog No: AG000T42 MDL No:

Product Description

Catalog Number:
AG000T42
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,8-dimethoxy-4,4-dimethyl-
CAS Number:
1267035-14-2
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
5,8-dimethoxy-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19NO2/c1-13(2)8-14-7-9-10(15-3)5-6-11(16-4)12(9)13/h5-6,14H,7-8H2,1-4H3
InChI Key:
HUJYOBMLVFWGHU-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1CNCC2(C)C)OC

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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