AG00CITM

347146-33-2 | 6-Isoquinolinamine,1-chloro-(9CI)

AG00CITM

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CAS Number	347146-33-2
Catalog Number	AG00CITM(AGN-PC-03UN64)
Chemical Name	6-Isoquinolinamine,1-chloro-(9CI)
IUPAC Name	1-chloroisoquinolin-6-amine
InChI	InChI=1S/C9H7ClN2/c10-9-8-2-1-7(11)5-6(8)3-4-12-9/h1-5H,11H2
InChI Key	TZBKVCUKSMTGMP-UHFFFAOYSA-N
MDL Number	MFCD18382475
Molecular Formula	C9H7ClN2
Molecular Weight	178.6183
SMILES	NC1=CC2=C(C=C1)C(Cl)=NC=C2
Synonyms	1-Chloroisoquinolin-6-amine, 347146-33-2, 6-Amino-1-chloroisoquinoline, 6-Isoquinolinamine,1-chloro-, 6-Amino -1-chloroisoquinoline, 6-Isoquinolinamine, 1-chloro-, SCHEMBL3068849, CTK4H2886, DTXSID10627505, TZBKVCUKSMTGMP-UHFFFAOYSA-N, 6-Isoquinolinamine,1-chloro-(9CI), ANW-69965, MFCD18382475, ZINC39119778, AKOS015901815, FCH1150274, FS-6508, QC-3404, AJ-98537, AK100744, AX8241666, TC-158710, ST24021300, I14-13955, 6-Isoquinolinamine, 1-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	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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