AG00EIDA

566943-99-5 | 6-Isoquinolinamine,5-chloro-(9CI)

AG00EIDA

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CAS Number	566943-99-5
Catalog Number	AG00EIDA(AGN-PC-073GUM)
Chemical Name	6-Isoquinolinamine,5-chloro-(9CI)
IUPAC Name	5-chloroisoquinolin-6-amine
InChI	InChI=1S/C9H7ClN2/c10-9-7-3-4-12-5-6(7)1-2-8(9)11/h1-5H,11H2
InChI Key	RLQWMNZPARVHIG-UHFFFAOYSA-N
MDL Number	MFCD18254580
Molecular Formula	C9H7ClN2
Molecular Weight	178.6183
SMILES	NC1=C(Cl)C2=C(C=NC=C2)C=C1
Synonyms	5-chloroisoquinolin-6-amine, 566943-99-5, CHEMBL416020, 5-CHLORO-6-ISOQUINOLINAMINE, AK123372, 5-chloro-6-aminoisoquinoline, 5-Chloroisoquinoline-6-amine, 6-Isoquinolinamine, 5-chloro-, SCHEMBL2162254, 5-Chloro-isoquinolin-6-ylamine, CTK5A5576, DTXSID10658132, RLQWMNZPARVHIG-UHFFFAOYSA-N, KS-00000R7A, 6-Isoquinolinamine,5-chloro-(9CI), 8299AB, BDBM50126287, MFCD18254580, ZINC13488995, AKOS015901098, DS-6995, FCH1148044, QC-9349, WT82653, AJ-63954, AM807271, AX8247550, 4CH-004358, ST24044675, I14-15482, C9H7ClN2, RW3254, 6-Isoquinolinamine, 5-chloro- (9CI),

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.619g/mol
Monoisotopic Mass	178.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

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