4-Isoquinolin-4-yl-benzylamine - CAS 1484841-44-2

Catalog:	BB060532
Product Name:	4-Isoquinolin-4-yl-benzylamine
CAS:	1484841-44-2
Synonyms:	(4-(Isoquinolin-4-yl)phenyl)methanamine;4-(4-Isoquinolinyl)-benzenemethanamine

Technical Data

IUPAC Name:	(4-isoquinolin-4-ylphenyl)methanamine
Description:	4-Isoquinolin-4-yl-benzylamine is an analog of amino isoquinolin (A611600). Amino isoquinolin ( A611600) is used for synthesis of Rho kinase inhibitors.
Molecular Weight:	234.3
Molecular Formula:	C16H14N2
Canonical SMILES:	C1=CC=C2C(=C1)C=NC=C2C3=CC=C(C=C3)CN
InChI:	InChI=1S/C16H14N2/c17-9-12-5-7-13(8-6-12)16-11-18-10-14-3-1-2-4-15(14)16/h1-8,10-11H,9,17H2
InChI Key:	NDGYZJONJUPVAC-UHFFFAOYSA-N
References:	Kimura, K; Science, 273, 245 (1996);Amano, M; J Biol Chem 274, 32418 (1999)Gassel, M; J Mol Biol, 329, 1021 (2003).

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.115698455
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.115698455
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6