AG00360F

58142-49-7 | 5-Amino-3-chloroisoquinoline

AG00360F

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CAS Number	58142-49-7
Catalog Number	AG00360F(AGN-PC-015C32)
Chemical Name	5-Amino-3-chloroisoquinoline
IUPAC Name	3-chloroisoquinolin-5-amine
InChI	InChI=1S/C9H7ClN2/c10-9-4-7-6(5-12-9)2-1-3-8(7)11/h1-5H,11H2
InChI Key	ZITUQCQEDBPHMJ-UHFFFAOYSA-N
MDL Number	MFCD09999240
Molecular Formula	C9H7ClN2
Molecular Weight	178.6183
SMILES	NC1=C2C=C(N=CC2=CC=C1)Cl
Synonyms	3-chloroisoquinolin-5-amine, 58142-49-7, 5-AMINO-3-CHLOROISOQUINOLINE, 5-Isoquinolinamine, 3-chloro-, AK-24676, 3-Chloro-5-aminoisoquinoline, 3-chloro-5-amino isoquinoline, 3-chloro-5-amino-isoquinoline, 3-Chloroisoquinoline-5-ylamine, SCHEMBL2315041, CTK8B7173, DTXSID00587806, ZITUQCQEDBPHMJ-UHFFFAOYSA-N, KS-00000F6D, 8600AB, 8601AB, ANW-56617, FCH880178, MFCD09999240, ZINC39119824, AKOS005257225, QC-3983, RP23995, SB21495, AJ-98541, AN-39813, DS-10686, SY115921, AX8104394, DB-072433, CS-0051400, FT-0647654, ST24042092, MFCD09999240 (95%), 142A497, J-516713, S14-2757, C9H7ClN2, 3-Chloro-5-isoquinolinamine, C13H14O4, 5-Isoquinolinamine, 3-chloro- (9CI), Ethyl 2,4-dioxo-4-(p-tolyl)butanoate, 5814-37-9,

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

Certificate of Analysis

Lot Number