4,5,6,7-Tetrahydrobenzimidazole-5-carboxylic Acid Hydrochloride - CAS 131020-57-0
Catalog: |
BB007226 |
Product Name: |
4,5,6,7-Tetrahydrobenzimidazole-5-carboxylic Acid Hydrochloride |
CAS: |
131020-57-0 |
Synonyms: |
4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride; 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride |
IUPAC Name: | 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride |
Description: | 4,5,6,7-Tetrahydrobenzimidazole-5-carboxylic Acid Hydrochloride (CAS# 131020-57-0) is a useful research chemical. |
Molecular Weight: | 202.64 |
Molecular Formula: | C8H11ClN2O2 |
Canonical SMILES: | C1CC2=C(CC1C(=O)O)NC=N2.Cl |
InChI: | InChI=1S/C8H10N2O2.ClH/c11-8(12)5-1-2-6-7(3-5)10-4-9-6;/h4-5H,1-3H2,(H,9,10)(H,11,12);1H |
InChI Key: | HCLOFQMHYZETCL-UHFFFAOYSA-N |
MDL: | MFCD18157694 |
LogP: | 1.40120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1870408-A1 | Novel process for producing ramosetron or its salt | 20050411 |
US-2009069570-A1 | Novel Process for Producing Ramosetron or Its Salt | 20050411 |
US-7652052-B2 | Process for producing ramosetron or its salt | 20050411 |
EP-1268483-A1 | Condensed imidazoles as histamine h3 receptor ligands | 20000317 |
EP-1268484-A1 | Condensed imidazoles as histamine h3 receptor ligands | 20000317 |
PMID | Publication Date | Title | Journal |
21353350 | 20110501 | Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors | European journal of medicinal chemistry |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0509053 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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