AG000IIE

1192815-01-2 | 3-Isoquinolinamine, 5-bromo-

AG000IIE

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CAS Number	1192815-01-2
Catalog Number	AG000IIE(AGN-PC-0WD4ER)
Chemical Name	3-Isoquinolinamine, 5-bromo-
IUPAC Name	5-bromoisoquinolin-3-amine
InChI	InChI=1S/C9H7BrN2/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H,(H2,11,12)
InChI Key	VZWSVFLRMXYQLA-UHFFFAOYSA-N
MDL Number	MFCD15526591
Molecular Formula	C9H7BrN2
Molecular Weight	223.0693
SMILES	Brc1c2c(cnc(c2)N)ccc1
Synonyms	5-BROMOISOQUINOLIN-3-AMINE, 1192815-01-2, 3-Isoquinolinamine, 5-bromo-, SCHEMBL559239, DTXSID30697427, VZWSVFLRMXYQLA-UHFFFAOYSA-N, ZX-RL001731, MFCD15526591, ZINC91692371, AKOS022176641, FCH1390919, AS-38812, OR300062, SC-33899, AJ-131902, AX8273594, C-0562, 5-bromoisoquinolin-3-ylamine,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.073g/mol
Monoisotopic Mass	221.979g/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	6.1
Hazard statements	H301-H318
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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