AG006WTI

484-78-6 | 2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

AG006WTI

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CAS Number	484-78-6
Catalog Number	AG006WTI(AGN-PC-0RZRGL)
Chemical Name	2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
IUPAC Name	2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
InChI	InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
InChI Key	VCKPUUFAIGNJHC-UHFFFAOYSA-N
MDL Number	MFCD00047832
Molecular Formula	C10H12N2O4
Molecular Weight	224.2133
NSC Number	96400
SMILES	O=C(O)C(N)CC(C1=CC=CC(O)=C1N)=O
Synonyms	3-(3-hydroxyanthraniloyl)alanine, 3-hydroxykynurenine, 3-hydroxykynurenine, (D)-isomer, 3-hydroxykynurenine, (DL)-isomer, 3-hydroxykynurenine, (L)-isomer, 3-Hydroxykynurenine, 3-Hydroxy-dl-kynurenine, Hydroxykynurenine, 2147-61-7, 484-78-6, 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid, DL-3-Hydroxykyunrenine, Kynurenine, 3-hydroxy-, 3-(3-Hydroxyanthraniloyl)alanine, dl-3-Hydroxykynurenine, CCRIS 4426, 3-(3-hydroxyanthraniloyl)-alanine, NSC 96400, CHEBI:1547, Kynurenine, 3-hydroxy (R,S), ALANINE, 3-(3-HYDROXYANTHRANILOYL)-, 3-hydroxy-kynurenine, Hydroxykinurenine, OH-Kynurenine, Prestwick_659, Prestwick0_000451, Prestwick1_000451, Prestwick2_000451, Prestwick3_000451, AC1L18GD, AC1Q5S3Q, WLN: ZR BQ FV1YZVQ, BSPBio_000522, SCHEMBL180582, SPBio_002461, BPBio1_000576, CHEMBL442576, BCBcMAP01_000037, CTK4J0834, VCKPUUFAIGNJHC-UHFFFAOYSA-N, HMS1569K04, NSC96400, ANW-43661, MFCD00047832, NSC-96400, 3-(2-amino-3-hydroxybenzoyl)alanine, AKOS016004491, VC30850, SMP1_000159, NCGC00179533-01, AN-25063, LS-16128, AX8011997, TR-010086, FT-0634065, C02794, A815406, Benzenebutanoic acid, a,2-diamino-3-hydroxy-g-oxo-, J-014094, alpha,2-Diamino-3-hydroxy-beta-oxobenzenebutanoic acid, Benzenebutanoic acid,2-diamino-3-hydroxy-.gamma.-oxo-, alpha,2-Diamino-3-hydroxy- gamma-oxobenzenebutanoic acid, 2-amino-4-(2-amino-3-hydroxy-phenyl)-4-oxo-butanoic acid, Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-, .alpha.,2-Diamino-3-hydroxy-.gamma.-oxobenzenebutanoic acid, Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo- (9CI), 2-azanyl-4-(2-azanyl-3-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid, rac 3-Hydroxy Kynurenine, CID89, 2-amino-4- -4-oxobutanoicacid, C10H12N2O4, UNII-27723548JL, AR-1E6615, C10-H12-N2-O4, 27723548JL, (R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid, (S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid, 4043-91-8, 606-14-4, 62367-97-9,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	224.216g/mol
Monoisotopic Mass	224.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.5

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