AG002637

17847-26-6 | 4-((Dimethylamino)methyl)benzoic acid hydrochloride

AG002637

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CAS Number	17847-26-6
Catalog Number	AG002637(AGN-PC-00NTLU)
Chemical Name	4-((Dimethylamino)methyl)benzoic acid hydrochloride
IUPAC Name	4-[(dimethylamino)methyl]benzoic acid;hydrochloride
InChI	InChI=1S/C10H13NO2.ClH/c1-11(2)7-8-3-5-9(6-4-8)10(12)13;/h3-6H,7H2,1-2H3,(H,12,13);1H
InChI Key	SNTRRUBDUJPTLH-UHFFFAOYSA-N
MDL Number	MFCD09997604
Molecular Formula	C10H14ClNO2
Molecular Weight	215.6767
SMILES	O=C(O)C1=CC=C(CN(C)C)C=C1.[H]Cl
Synonyms	17847-26-6, 4-((Dimethylamino)methyl)benzoic acid hydrochloride, 4-[(dimethylamino)methyl]benzoic acid hydrochloride, 4-DIMETHYLAMINOMETHYL-BENZOIC ACID HYDROCHLORIDE, 4-[(Dimethylamino)methyl]benzoic acid HCl, AC1Q3BKS, SCHEMBL5065552, CTK6I0354, KS-00000SPR, SNTRRUBDUJPTLH-UHFFFAOYSA-N, 5966AD, MFCD09997604, 4-dimethylaminomethyl-benzoic acid HCl, AKOS004910784, DS-8390, MCULE-3998177357, NE17719, AK163939, TR-049856, ST24042759, EN300-64034, 4-[(dimethylamino)methyl]benzoic acid;hydrochloride, Benzoic acid, 4-[(dimethylamino)methyl]-, hydrochloride (1:1), C10H14ClNO2, 3-(benzylamino)propan-1-ol, 18364-71-1,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.677g/mol
Monoisotopic Mass	215.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^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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