AG000IUN

1194804-60-8 | Benzoic acid, 3-(methylamino)-, hydrochloride (1:1)

AG000IUN

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CAS Number	1194804-60-8
Catalog Number	AG000IUN(AGN-PC-0WANG9)
Chemical Name	Benzoic acid, 3-(methylamino)-, hydrochloride (1:1)
IUPAC Name	3-(methylamino)benzoic acid;hydrochloride
InChI	InChI=1S/C8H9NO2.ClH/c1-9-7-4-2-3-6(5-7)8(10)11;/h2-5,9H,1H3,(H,10,11);1H
InChI Key	ITXSCWSMUFDUOW-UHFFFAOYSA-N
MDL Number	MFCD09752165
Molecular Formula	C8H10ClNO2
Molecular Weight	187.6235
SMILES	O=C(O)C1=CC=CC(NC)=C1.[H]Cl
Synonyms	3-(Methylamino)benzoic acid hydrochloride, 1194804-60-8, AK164024, SCHEMBL4563542, 3-(Methylamino)benzoic acid HCl, KS-00000SQH, MFCD09752165, AKOS006280514, CS-W007248, DS-8406, 3-(methylamino)benzoic acid;hydrochloride, Benzoic acid, 3-(methylamino)-, hydrochloride (1:1), 51524-84-6,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	187.623g/mol
Monoisotopic Mass	187.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.3A^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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