AG00IMMU

37481-69-9 | 4(1H)-Isoquinolinone, 2,3-dihydro-2-(phenylmethyl)-, hydrochloride

AG00IMMU

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CAS Number	37481-69-9
Catalog Number	AG00IMMU(AGN-PC-00KEDF)
Chemical Name	4(1H)-Isoquinolinone, 2,3-dihydro-2-(phenylmethyl)-, hydrochloride
IUPAC Name	2-benzyl-1,3-dihydroisoquinolin-4-one;hydrochloride
InChI	InChI=1S/C16H15NO.ClH/c18-16-12-17(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16;/h1-9H,10-12H2;1H
InChI Key	JGBXBXHGWDLCJY-UHFFFAOYSA-N
MDL Number	MFCD18459156
Molecular Formula	C16H16ClNO
Molecular Weight	273.7573
SMILES	O=C1CN(CC2=CC=CC=C2)CC3=C1C=CC=C3.[H]Cl
Synonyms	2-Benzyl-2,3-dihydroisoquinolin-4(1H)-one hydrochloride, 37481-69-9, MFCD18459156, AKOS015958945, DS-4782, AK134592, AX8256229, 4(1H)-Isoquinolinone, 2,3-dihydro-2-(phenylmethyl)-, hydrochloride,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.092g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.76g/mol
Monoisotopic Mass	273.092g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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