AG00E9ZI

58123-56-1 | Isoquinolin-4-ylmethanamine

AG00E9ZI

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CAS Number	58123-56-1
Catalog Number	AG00E9ZI(AGN-PC-00JQNW)
Chemical Name	Isoquinolin-4-ylmethanamine
IUPAC Name	isoquinolin-4-ylmethanamine
InChI	InChI=1S/C10H10N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H,5,11H2
InChI Key	ZTMHEIRKNHCJEG-UHFFFAOYSA-N
MDL Number	MFCD06738934
Molecular Formula	C10H10N2
Molecular Weight	158.1998
SMILES	NCC1=CN=CC2=C1C=CC=C2
Synonyms	isoquinolin-4-ylmethanamine, 58123-56-1, C-ISOQUINOLIN-4-YL-METHYLAMINE, (ISOQUINOLIN-4-YL)METHANAMINE, 4-ISOQUINOLINEMETHANAMINE, Isoquinoline-4-methylamine, 4-isoquinolinylmethanamine, Isoquinolin-4-yl-methylamine, SCHEMBL4045763, CTK7E6825, 1-(Isoquinolin-4-yl)methanamine, DTXSID70475908, CI-470, MFCD06738934, ZINC20445660, AKOS013284671, AB28215, RP02033, AJ-77728, SC-41115, DB-072426, TR-039366, C2353, FT-0746779, ST24047450, Y9536, C-1714, A831748, J-521571, C10H10N2,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number