AG00C2E4

22246-00-0 | 6-amino-3,4-dihydro-2H-isoquinolin-1-one

AG00C2E4

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CAS Number	22246-00-0
Catalog Number	AG00C2E4(AGN-PC-0599R5)
Chemical Name	6-amino-3,4-dihydro-2H-isoquinolin-1-one
IUPAC Name	6-amino-3,4-dihydro-2H-isoquinolin-1-one
InChI	InChI=1S/C9H10N2O/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4,10H2,(H,11,12)
InChI Key	DVLAULBAJZJPJS-UHFFFAOYSA-N
MDL Number	MFCD11007917
Molecular Formula	C9H10N2O
Molecular Weight	162.1885
SMILES	O=C1c2c(cc(cc2)N)CCN1
Synonyms	6-amino-3,4-dihydroisoquinolin-1(2H)-one, 22246-00-0, 6-Amino-3,4-dihydro-2H-isoquinolin-1-one, 6-amino-1,2,3,4-tetrahydroisoquinolin-1-one, 1(2H)-Isoquinolinone, 6-amino-3,4-dihydro-, SCHEMBL15727824, DTXSID10650590, 3415AJ, MFCD11007917, ZINC16678139, AKOS006303697, QC-9362, SB13708, AJ-69052, AS-46522, AB0097765, AB1010386, FT-0723491, ST24045096, W-2477, J-014605, Z2507870659, 6-Aminoisoquinolone, C9H10N2O, NICARDIPINE HYDROCHLORIDE, 6-amino-3,4-dihydro-1(2H)-Isoquinolinone, 54527-84-3,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.192g/mol
Monoisotopic Mass	162.079g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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