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1353959-87-1 | 2-(Isopropyl-isoquinolin-1-ylmethyl-amino)-ethanol
CAS No: 1353959-87-1 Catalog No: AG01F906 MDL No:
Product Description
Catalog Number:
AG01F906
Chemical Name:
2-(Isopropyl-isoquinolin-1-ylmethyl-amino)-ethanol
CAS Number:
1353959-87-1
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
IUPAC Name:
2-[isoquinolin-1-ylmethyl(propan-2-yl)amino]ethanol
InChI:
InChI=1S/C15H20N2O/c1-12(2)17(9-10-18)11-15-14-6-4-3-5-13(14)7-8-16-15/h3-8,12,18H,9-11H2,1-2H3
InChI Key:
RILPRCNHSYKDIO-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1nccc2c1cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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