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3-Isoquinolinemethanamine

CAS No.:
132833-03-5
Catalog Number:
AG00118E
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
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Product Description
Catalog Number:
AG00118E
Chemical Name:
3-Isoquinolinemethanamine
CAS Number:
132833-03-5
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD17245630
IUPAC Name:
isoquinolin-3-ylmethanamine
InChI:
InChI=1S/C10H10N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H,6,11H2
InChI Key:
TXMHNJDESIWXIA-UHFFFAOYSA-N
SMILES:
NCc1ncc2c(c1)cccc2
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Construction of indole- and isoquinoline-fused nitrogen-containing heterocycles through copper-catalyzed multi-component reaction. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20100701
Rapid access to 3-(aminomethyl)isoquinoline-fused polycyclic compounds by copper-catalyzed four-component coupling, cascade cyclization, and oxidation. The Journal of organic chemistry 20090821
Properties