4-(1-Imidazolyl)butanoic Acid - CAS 72338-58-0
Catalog: |
BB034605 |
Product Name: |
4-(1-Imidazolyl)butanoic Acid |
CAS: |
72338-58-0 |
Synonyms: |
4-(1-imidazolyl)butanoic acid; 4-imidazol-1-ylbutanoic acid |
IUPAC Name: | 4-imidazol-1-ylbutanoic acid |
Description: | 4-(1-Imidazolyl)butanoic Acid (CAS# 72338-58-0) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | C1=CN(C=N1)CCCC(=O)O |
InChI: | InChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11) |
InChI Key: | ZCWMZLARYIDEEZ-UHFFFAOYSA-N |
Boiling Point: | 406 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD01721735 |
LogP: | 0.74790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020019786-A1 | Method for preparing biosensing film, biosensing film and monitoring device | 20180727 |
AU-2015316611-A1 | Imidazo[4,5-c]pyridine derived SSAO inhibitors | 20140917 |
AU-2015316611-B2 | Imidazo[4,5-c]pyridine derived SSAO inhibitors | 20140917 |
CA-2961424-A1 | Imidazo[4,5-c]pyridine derived ssao inhibitors | 20140917 |
EP-3194389-A1 | Imidazo[4,5-c]pyridine derived ssao inhibitors | 20140917 |
PMID | Publication Date | Title | Journal |
21353350 | 20110501 | Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors | European journal of medicinal chemistry |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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