AG00C3EC

28357-95-1 | 4-(1-AMINO-ETHYL)-BENZOIC ACID

AG00C3EC

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CAS Number	28357-95-1
Catalog Number	AG00C3EC(AGN-PC-05C6VK)
Chemical Name	4-(1-AMINO-ETHYL)-BENZOIC ACID
IUPAC Name	4-(1-aminoethyl)benzoic acid
InChI	InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)
InChI Key	NDMBVGSUFFPAFE-UHFFFAOYSA-N
MDL Number	MFCD09832183
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=C(O)C1=CC=C(C(N)C)C=C1
Synonyms	4-(1-Aminoethyl)benzoic acid, 28357-95-1, 4-(1-Amino-ethyl)-benzoic acid, 1-(4-carboxyphenyl)ethylamine, AK-32138, Benzoic acid,4-[(1S)-1-aminoethyl]-, AK154798, 4-(a-aminoethyl)-benzoic acid, SCHEMBL2129856, 4-(1-Aminoethyl)-benzoic acid, CTK8B7037, DTXSID80502855, NDMBVGSUFFPAFE-UHFFFAOYSA-N, ANW-56202, MFCD09832183, AKOS015917203, Benzoic acid, 4-?(1-?aminoethyl)?, FCH1156847, NE63743, RP22798, DS-11765, SC-20888, AX8164159, TC-144947, 4CH-025145, FT-0683048, 357A951, J-513206, S01-0798, 4- -benzoicacid, 4-(1-Aminoethyl)benzoicacid, (S)-4-(1-AMINOETHYL)BENZOIC ACID, (R)-4-(1-Aminoethyl)benzoic acid, 4-[(1R)-1-Aminoethyl]benzoic acid, 4-[(1S)-1-aminoethyl]benzoic acid, (R)-4-(1-AMINO-ETHYL)-BENZOIC ACID, 222714-33-2, (R)-4-(1-AMINOETHYL)BENZOIC ACID HCl, 1108683-66-4, 176-74-9,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

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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