AG0099UI

1208078-18-5 | 3-(1H-Imidazol-2-yl)propanoic acid hydrochloride

AG0099UI

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CAS Number	1208078-18-5
Catalog Number	AG0099UI(AGN-PC-0WNOBX)
Chemical Name	3-(1H-Imidazol-2-yl)propanoic acid hydrochloride
IUPAC Name	3-(1H-imidazol-2-yl)propanoic acid;hydrochloride
InChI	InChI=1S/C6H8N2O2.ClH/c9-6(10)2-1-5-7-3-4-8-5;/h3-4H,1-2H2,(H,7,8)(H,9,10);1H
InChI Key	FNFOMFMVOHBKHO-UHFFFAOYSA-N
MDL Number	MFCD12404972
Molecular Formula	C6H9ClN2O2
Molecular Weight	176.6009
SMILES	O=C(O)CCC1=NC=CN1.[H]Cl
Synonyms	3-(1H-imidazol-2-yl)propanoic acid hydrochloride, 1208078-18-5, 3-(1H-IMIDAZOL-2-YL)PROPANOIC ACID HCL, CHEMBL1773937, SCHEMBL8937731, DTXSID50679260, BDBM50026408, MFCD12404972, AKOS025402589, NE47333, AS-39007, AB0078958, 3-(2-Imidazolyl)propionic acid hydrochloride, 3-(1H-imidazol-2-yl)propanoic acid;hydrochloride, A812364, 3-(2-IMIDAZOLYL)PROPOINIC ACID HYDROCHLORIDE, Z1913661002, 3-(1H-Imidazol-2-yl)propanoic acid--hydrogen chloride (1/1), 3-(2-imidazolyl)propionic acid, 3-(1H-Imidazol-2-yl)-propionic acid, 178388-79-9,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	176.6g/mol
Monoisotopic Mass	176.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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