AG0037KE

216099-46-6 | 6-Aminoisoquinolin-1(2H)-one

AG0037KE

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CAS Number	216099-46-6
Catalog Number	AG0037KE(AGN-PC-093FJT)
Chemical Name	6-Aminoisoquinolin-1(2H)-one
IUPAC Name	6-amino-2H-isoquinolin-1-one
InChI	InChI=1S/C9H8N2O/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,10H2,(H,11,12)
InChI Key	IZATWLMRJBAQAH-UHFFFAOYSA-N
MDL Number	MFCD12547311
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	NC=1C=C2C=CNC(C2=CC1)=O
Synonyms	6-Aminoisoquinolin-1-ol, 216099-46-6, 6-Aminoisoquinolin-1(2H)-one, 6-AMINO-1,2-DIHYDROISOQUINOLIN-1-ONE, 6-amino-2H-isoquinolin-1-one, 1(2H)-Isoquinolinone, 6-amino-, 1-Oxoisoquinolin-6-amine, SCHEMBL1096086, CTK8B7430, DTXSID00679871, IZATWLMRJBAQAH-UHFFFAOYSA-N, ANW-57276, MFCD12547311, RW3243, ZINC66349229, AKOS015901071, AKOS015950302, PB11021, QC-1992, RP09546, KS-000006V2, AM807154, AS-34402, AJ-116553, TC-146021, CS-0044971, FT-0685831, X7980, Q-2707, W-201889, I14-15478, Z1255396439, C9H8N2O, 6-Amino-1(2H)-Isoquinolinone,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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