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1353962-53-4 | 2-(Cyclopropyl-isoquinolin-1-ylmethyl-amino)-ethanol
CAS No: 1353962-53-4 Catalog No: AG01F8HW MDL No:
Product Description
Catalog Number:
AG01F8HW
Chemical Name:
2-(Cyclopropyl-isoquinolin-1-ylmethyl-amino)-ethanol
CAS Number:
1353962-53-4
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
2-[cyclopropyl(isoquinolin-1-ylmethyl)amino]ethanol
InChI:
InChI=1S/C15H18N2O/c18-10-9-17(13-5-6-13)11-15-14-4-2-1-3-12(14)7-8-16-15/h1-4,7-8,13,18H,5-6,9-11H2
InChI Key:
CIUWSGOUHARPMA-UHFFFAOYSA-N
SMILES:
OCCN(C1CC1)Cc1nccc2c1cccc2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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