AG003JYZ

60531-36-4 | 4-(2-Aminoethyl)benzoic acid hydrochloride

AG003JYZ

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CAS Number	60531-36-4
Catalog Number	AG003JYZ(AGN-PC-0WAJ94)
Chemical Name	4-(2-Aminoethyl)benzoic acid hydrochloride
IUPAC Name	4-(2-aminoethyl)benzoic acid;hydrochloride
InChI	InChI=1S/C9H11NO2.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h1-4H,5-6,10H2,(H,11,12);1H
InChI Key	GRQLJCQMQXXDTR-UHFFFAOYSA-N
MDL Number	MFCD00000839
Molecular Formula	C9H12ClNO2
Molecular Weight	201.6501
SMILES	Cl.C(=O)(O)c1ccc(cc1)CCN
Synonyms	4-(2-Aminoethyl)benzoic acid hydrochloride, 60531-36-4, 4-(2-Amino-ethyl)benzoic acid hydrochloride, AC1Q3DAD, ACMC-1B7UB, 4-(2-AMINOETHYL)BENZOICACIDHYDROCHLORIDE, SCHEMBL872073, CTK8B7303, DTXSID90584703, GRQLJCQMQXXDTR-UHFFFAOYSA-N, 9032AB, ANW-56972, MFCD07343882, p-aminoethylbenzoic acid hydrochloride, AKOS008053816, MCULE-2120673690, SC-21796, ST2417941, TC-145717, 4-(2-aminoethyl)-benzoic acid hydrochloride, FT-0692295, UX00004759, EN300-14551, A-7329, 4-(2-Aminoethyl)benzoic acid hydrochloride, 97%, 4-(2-Aminoethyl)benzoic acid--hydrogen chloride (1/1), BENZOIC ACID,4-(2-AMINOETHYL)-, HYDROCHLORIDE (1:1), C9H12ClNO2, 4- BENZOICACIDHYDROCHLORIDE,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	201.65g/mol
Monoisotopic Mass	201.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H318-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number