AG001W75

16552-65-1 | 4-Bromo-isoquinolin-5-ylamine

AG001W75

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CAS Number	16552-65-1
Catalog Number	AG001W75(AGN-PC-001VT9)
Chemical Name	4-Bromo-isoquinolin-5-ylamine
IUPAC Name	4-bromoisoquinolin-5-amine
InChI	InChI=1S/C9H7BrN2/c10-7-5-12-4-6-2-1-3-8(11)9(6)7/h1-5H,11H2
InChI Key	RJLUYBOSXJNQBN-UHFFFAOYSA-N
MDL Number	MFCD11506153
Molecular Formula	C9H7BrN2
Molecular Weight	223.0693
SMILES	NC1=CC=CC2=C1C(Br)=CN=C2
Synonyms	4-Bromoisoquinolin-5-amine, 16552-65-1, 4-Bromo-isoquinolin-5-ylamine, 5-AMINO-4-BROMOISOQUINOLINE, 4-BROMO-5-AMINOISOQUINOLINE, 5-amino- 4-bromoisoquinoline, 5-Amino-4-bromo-isoquinoline, 5-Isoquinolinamine, 4-bromo-, SCHEMBL4531509, DTXSID70561895, RJLUYBOSXJNQBN-UHFFFAOYSA-N, MFCD11506153, ZINC32501157, AKOS022174617, AJ-85360, CJ-17958, DB-064574, FT-0731735, Y5296, Z-5778, C9H7BrN2, 5-Isoquinolinamine, 4-bromo- (9CI),

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	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number