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1353982-94-1 | 2-(Isoquinolin-1-ylmethyl-methyl-amino)-ethanol
CAS No: 1353982-94-1 Catalog No: AG01F9TO MDL No:
Product Description
Catalog Number:
AG01F9TO
Chemical Name:
2-(Isoquinolin-1-ylmethyl-methyl-amino)-ethanol
CAS Number:
1353982-94-1
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
2-[isoquinolin-1-ylmethyl(methyl)amino]ethanol
InChI:
InChI=1S/C13H16N2O/c1-15(8-9-16)10-13-12-5-3-2-4-11(12)6-7-14-13/h2-7,16H,8-10H2,1H3
InChI Key:
LQJCWAFGUFYXSK-UHFFFAOYSA-N
SMILES:
OCCN(Cc1nccc2c1cccc2)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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