AG007EH1

1074-59-5 | 3-(Imidazol-4-yl)propionic acid

AG007EH1

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CAS Number	1074-59-5
Catalog Number	AG007EH1(AGN-PC-0NWNP5)
Chemical Name	3-(Imidazol-4-yl)propionic acid
EC Number	214-045-0
IUPAC Name	3-(1H-imidazol-5-yl)propanoic acid
InChI	InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChI Key	ZCKYOWGFRHAZIQ-UHFFFAOYSA-N
MDL Number	MFCD00237415
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
NSC Number	66737
SMILES	OC(=O)CCC1=CNC=N1
UNII	8B1241598D
Synonyms	5-imidazolepropionic acid, 5-imidazolepropionic acid, monohydrochloride, imidazole propionate, 1074-59-5, 3-(1H-imidazol-4-yl)propanoic acid, 3-(Imidazol-4-yl)propionic acid, 3-(1H-imidazol-5-yl)propanoic acid, 1H-Imidazole-4-propanoic acid, Deamino-histidine, 3-(1H-Imidazol-4-yl)-propionic acid, dihydrourocanic acid, imidazolepropionic acid, Imidazolylpropionic acid, 5-Imidazolepropionic acid, deaminohistidine, 1H-Imidazole-5-propanoicacid, 1H-Imidazole-5-propanoic acid, CHEBI:73087, UNII-8B1241598D, CHEMBL84253, 3-(1H-imidazol-4-yl)propionic acid, 8B1241598D, Dihydrourocanic acid;3-(Imidazol-4-yl)-propionic acid, MFCD00237415, URO, desamino-histidine, Imidazolepropionate, Imidazolylpropionate, EINECS 214-045-0, NSC 66737, 3-(1H-Imidazol-4-yl)-propionicacid, 5-Imidazolepropionate, AC1Q5VWM, 4-imidazolylpropanoic acid, 4-imidazolylpropionic acid, 1H-Imidazole-4-propanoate, AC1L2EI7, 3-(4-Imidazolyl)propionsaure, 3-(Imidazol-4-yl)propionate, SCHEMBL216266, AC1Q759F, 3-(4-Imidazolyl)propionic acid, CTK0I0008, CTK7J2991, 3-(imidazol-4-yl)propanoic acid, DTXSID30148040, (3-Imidazol-4-yl)propionic acid, ZCKYOWGFRHAZIQ-UHFFFAOYSA-N, 4-(2-Carboxyethyl)-1H-imidazole, 3-(1H-Imidazol-4-yl)-propionate, NSC66737, 3-(1H-4-imidazolyl)propanoic acid, ANW-65994, BDBM50026404, CI-548, MFCD18459271, NSC-66737, ZINC91688852, AKOS006229491, AKOS015856228, 3-(1H-Imidazol-4-yl) propionic acid, 3-(1H-Imidazol-5-yl)-propionic acid, MCULE-3618491840, PS-5123, QC-3764, RP01241, KS-00001A70, AC-25677, AJ-81935, AM802898, BC244534, SC-20393, Imidazolepropionic acid, >=98.0% (GC), AB0039507, DB-031217, TC-063376, CS-0038274, FT-0733120, Y6981, C20522, I10-0554, W-204640, dihydrourocanate, C6H8N2O2, 3-(1H-Imidazol-4-yl)propanoate, C6-H8-N2-O2, CID70630, AR-1J2291, A2078, (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID, 1088-64-8, 2002-22-4,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
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

Lot Number