AG003G85

55741-01-0 | 2-[(Dimethylamino)methyl]benzoic acid hydrochloride

AG003G85

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CAS Number	55741-01-0
Catalog Number	AG003G85(AGN-PC-0WA5W0)
Chemical Name	2-[(Dimethylamino)methyl]benzoic acid hydrochloride
IUPAC Name	2-[(dimethylamino)methyl]benzoic acid
InChI	InChI=1S/C10H13NO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key	WBMZATHVOXPWMU-UHFFFAOYSA-N
MDL Number	MFCD08060610
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(O)C1=CC=CC=C1CN(C)C
Synonyms	55741-01-0, 2-[(Dimethylamino)methyl]benzoic Acid, 2-((Dimethylamino)methyl)benzoic acid, Benzoic acid, 2-[(dimethylamino)methyl]-, hydrochloride, SCHEMBL1421554, CTK1F6196, ALBB-015108, KS-00000CW6, 2-[(Dimethylamino)methyl]benzoicAcid, ZINC15635587, AKOS004121891, MCULE-8960151808, TRA0028614, 2-DIMETHYLAMINOMETHYL-BENZOIC ACID, AJ-67722, AS-31352, SY024238, Benzoic acid, 2-[(dimethylamino)methyl]-, AB0057663, FT-0684191, Y-3627, MFCD08060610 (97+%), 2-DIMETHYLAMINOMETHYL-BENZOICACID, 2-[(dimethylamino)methyl]benzoic acid hydrochloride,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number