2-(1-Methyl-1H-imidazol-5-yl)acetic Acid Hydrochloride - CAS 1071661-55-6
Catalog: |
BB056506 |
Product Name: |
2-(1-Methyl-1H-imidazol-5-yl)acetic Acid Hydrochloride |
CAS: |
1071661-55-6 |
Synonyms: |
2-(1-methyl-1H-imidazol-5-yl)acetic acid hydrochloride; 2-(3-methylimidazol-4-yl)acetic acid; hydrochloride; Pi-Methylimidazoleacetic acid (hydrochloride) |
IUPAC Name: | 2-(3-methylimidazol-4-yl)acetic acidhydrochloride |
Description: | 2-(1-Methyl-1H-imidazol-5-yl)acetic acid hydrochloride is a radioactive histamine metabolite. 2-(1-Methyl-1H-imidazol-5-yl)acetic Acid Hydrochloride is a potential neurotoxin |
Molecular Weight: | 176.6 |
Molecular Formula: | C6H8N2O2·HCl |
Canonical SMILES: | CN1C=NC=C1CC(=O)O.Cl |
InChI: | InChI=1S/C6H8N2O2.ClH/c1-8-4-7-3-5(8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)1H |
InChI Key: | BMKRZGIAUKYDQE-UHFFFAOYSA-N |
Melting Point: | 208 - 213°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Inert atmosphere |
References: | Karjala, S. A., et al. J. Am. Chem. Soc., 77, 6358 (1955); Moser, A., ET AL. Pharmacology of Endogenous Neurotoxins (1998). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-0873123-B1 | Inhibitors of protein isoprenyl transferases | 19951106 |
US-2002193596-A1 | Inhibitors of protein isoprenyl transferases | 19951106 |
US-6693123-B2 | Inhibitors of protein isoprenyl transferases | 19951106 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0352552 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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