(S)-1-(4-Phenyl-2-imidazolyl)ethanamine - CAS 864825-23-0
Catalog: |
BB037955 |
Product Name: |
(S)-1-(4-Phenyl-2-imidazolyl)ethanamine |
CAS: |
864825-23-0 |
Synonyms: |
(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamine; (1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamine |
IUPAC Name: | (1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamine |
Description: | (S)-1-(4-Phenyl-2-imidazolyl)ethanamine (CAS# 864825-23-0) is an intermediate used to prepare a δ-opioid antagonists/μ-opioid agonists used in potential therapy for diarrhea-predominant irritable bowel syndrome (IBS-d). |
Molecular Weight: | 187.24 |
Molecular Formula: | C11H13N3 |
Canonical SMILES: | CC(C1=NC=C(N1)C2=CC=CC=C2)N |
InChI: | InChI=1S/C11H13N3/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/t8-/m0/s1 |
InChI Key: | XQFMQMXJXWTGON-QMMMGPOBSA-N |
LogP: | 2.79670 |
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 |
WO-2019075252-A1 | PEPTIDOMIMETIC INHIBITORS OF PROTEASOME | 20171011 |
EP-3694605-A1 | Peptidomimetic proteasome inhibitors | 20171011 |
US-2020317729-A1 | Peptidomimetic proteasome inhibitors | 20171011 |
CN-106636246-A | Preparation of (S)-1-(5-phenyl-1H-imidazol-2-yl)ethylamine through biological method | 20161228 |
CN-106636246-B | Biological method for preparing (S) -1- (5-phenyl-1H-imidazole-2-yl) ethylamine | 20161228 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.110947427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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