AG000N0W

1250443-39-0 | 1H-Isoindol-1-one, 6-(aminomethyl)-2,3-dihydro-, hydrochloride (1:1)

AG000N0W

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CAS Number	1250443-39-0
Catalog Number	AG000N0W(AGN-PC-0WAN1S)
Chemical Name	1H-Isoindol-1-one, 6-(aminomethyl)-2,3-dihydro-, hydrochloride (1:1)
IUPAC Name	6-(aminomethyl)-2,3-dihydroisoindol-1-one;hydrochloride
InChI	InChI=1S/C9H10N2O.ClH/c10-4-6-1-2-7-5-11-9(12)8(7)3-6;/h1-3H,4-5,10H2,(H,11,12);1H
InChI Key	PHAHVBHGQKJFFS-UHFFFAOYSA-N
MDL Number	MFCD16987808
Molecular Formula	C9H11ClN2O
Molecular Weight	198.6494
SMILES	O=C1NCC2=C1C=C(CN)C=C2.[H]Cl
Synonyms	6-(aminomethyl)isoindolin-1-one hydrochloride, 1250443-39-0, 6-(Aminomethyl)isoindolin-1-one HCl, AK134588, KS-00000RKK, DTXSID00856605, MFCD16987808, QC-253, AKOS022176811, AS-47477, AX8256144, ST24045040, 1H-Isoindol-1-one, 6-(aminomethyl)-2,3-dihydro-, hydrochloride (1:1), 6-(Aminomethyl)-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/1),

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	198.65g/mol
Monoisotopic Mass	198.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number