AG003ITY

682803-15-2 | 2-Aminomethyl-3-(3,4-dichloro-phenyl)-propionic acid

AG003ITY

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CAS Number	682803-15-2
Catalog Number	AG003ITY(AGN-PC-05W6QJ)
Chemical Name	2-Aminomethyl-3-(3,4-dichloro-phenyl)-propionic acid
IUPAC Name	2-(aminomethyl)-3-(3,4-dichlorophenyl)propanoic acid
InChI	InChI=1S/C10H11Cl2NO2/c11-8-2-1-6(4-9(8)12)3-7(5-13)10(14)15/h1-2,4,7H,3,5,13H2,(H,14,15)
InChI Key	OWUCQTYNFQLYOY-UHFFFAOYSA-N
MDL Number	MFCD03002396
Molecular Formula	C10H11Cl2NO2
Molecular Weight	248.1058
SMILES	NCC(CC1=CC=C(Cl)C(Cl)=C1)C(O)=O
Synonyms	3-AMINO-2-(3,4-DICHLOROBENZYL)PROPANOIC ACID, 682803-15-2, 2-AMINOMETHYL-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID, SCHEMBL4619729, CTK7E2001, KS-00000AP8, 5774AJ, MFCD03002396, AKOS023159466, AB12914, TRA0060369, AS-32154, SY019946, TC-307327, 3-Amino-2-(3,4-dichlorobenzyl)propanoicAcid, Z-4565, MFCD03002396 (95+%), C10H11Cl2NO2, 113975-22-7,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.017g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	248.103g/mol
Monoisotopic Mass	247.017g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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