AG003611

645-65-8 | 2-(1H-imidazol-4-yl)acetic acid

AG003611

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CAS Number	645-65-8
Catalog Number	AG003611(AGN-PC-0OET95)
Chemical Name	2-(1H-imidazol-4-yl)acetic acid
IUPAC Name	2-(1H-imidazol-5-yl)acetic acid
InChI	InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChI Key	PRJKNHOMHKJCEJ-UHFFFAOYSA-N
MDL Number	MFCD01570463
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
NSC Number	60104
SMILES	N1C=NC=C1CC(=O)O
UNII	IGZ30Z24EJ
Synonyms	IMAC, imidazole-4-acetic acid, imidazole-4-acetic acid hydrochloride, imidazole-4-acetic acid, sodium salt, imidazoleacetic acid, imidazolyl-4-acetic acid, Imidazole-4-acetic acid, 645-65-8, imidazoleacetic acid, 2-(1H-imidazol-5-yl)acetic acid, 2-(1H-imidazol-4-yl)acetic acid, 1H-Imidazole-4-acetic acid, 4(5)-Imidazoleacetate, Imidazolyl-4-acetic acid, Imidazole-4-acetate, IMAC, (1H-Imidazol-4-yl)-acetic acid, 4-Imidazoleacetic acid, 4-Imidazoleacetate, Imidazole acetic acid, 1H-Imidazol-4-ylacetic acid, imidazol-4-ylacetic acid, UNII-IGZ30Z24EJ, CHEBI:16974, Imidazole-5-acetic acid, Lopac-I-0375, CHEMBL784, IGZ30Z24EJ, PRJKNHOMHKJCEJ-UHFFFAOYSA-N, imidazol-4-ylacetate, 2-imidazol-4-ylacetic acid, IZC, Imidazoleacetic acid (VAN), Imidazole acetate, NSC 60104, zlchem 872, imidazole-4acetic acid, Spectrum_001878, SpecPlus_000672, SCHEMBL49, AC1L3VZN, AC1Q1GTT, imidazol-5-ylacetic acid, 1H-Imidazole-5-aceticacid, Biomol-NT_000244, Lopac0_000609, 1H-imidazol-5-ylacetic acid, KBioSS_002404, DivK1c_006768, BPBio1_000793, 1H-Imidazol-4-ylacetic acid #, BDBM85712, CHEBI:70804, CTK2F3566, CTK7J2192, Imidazole-4-acetic acid (8CI), KBio1_001712, KBio2_002399, KBio2_004967, KBio2_007535, KS-00003SSV, DTXSID50214751, ZLD0333, (3H-imidazol-4-yl)-acetic acid, AC1Q7504, ACT06174, NSC60104, 2-(1H-imidazole-5-yl)acetic acid, 1H-Imidazole-4-acetic acid (9CI), 2-(1H-imidazol-5-yl)ethanoic acid, BDBM50026410, MFCD01570463, NSC-60104, NSC_96215, PDSP1_000242, PDSP2_000241, SBB005448, ZINC19735138, AKOS005264531, AKOS015854537, CCG-204698, LS20933, VZ27655, NCGC00015544-01, NCGC00015544-02, NCGC00015544-03, NCGC00015544-04, NCGC00015544-05, NCGC00162202-01, NCGC00162202-02, NCGC00162202-03, AN-47074, BC224082, CAS_645-65-8, EN001053, SC-65853, ST057591, TS-01654, HY-113413, LS-191775, TR-022099, BB 0259915, CS-0059400, FT-0660552, C02835, H57068, 645I658, A835408, C2367A7F-EFBF-4ACE-A441-496E7F6B49FD, I14-10685, (1H-Imidazol-4-yl)acetic acid;Imidazole-4-acetic acid;2-(1H-imidazol-5-yl)acetic acid, Imidazole-4-aceticacid, imidazoleacetic acid ribotide, 1h-imidazole-5-acetic acid, 2h-Imidazol-4-Ylacetic Acid, Imidazole-4-acetic acid hydrochloride, C5-H6-N2-O2, CID96215, AR-1J2290, 2-(1H-Imidazol-4-Yl)Acetic Acid Hydrochloride, 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide, IAA, 66298-09-7, N/A,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

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

Lot Number