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22895-75-6 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-pentyl-, hydrochloride (1:1)
CAS No: 22895-75-6 Catalog No: AG002LDK MDL No:
Product Description
Catalog Number:
AG002LDK
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-pentyl-, hydrochloride (1:1)
CAS Number:
22895-75-6
Molecular Formula:
C16H26ClNO2
Molecular Weight:
299.8361
IUPAC Name:
6,7-dimethoxy-1-pentyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H25NO2/c1-4-5-6-7-14-13-11-16(19-3)15(18-2)10-12(13)8-9-17-14/h10-11,14,17H,4-9H2,1-3H3
InChI Key:
HEXJYLSBFSMHSC-UHFFFAOYSA-N
SMILES:
CCCCCC1NCCc2c1cc(OC)c(c2)OC.Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.381g/mol
Monoisotopic Mass:
263.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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