2-(1-Cyclohexenyl)ethylamine - CAS 3399-73-3
Catalog: |
BB021925 |
Product Name: |
2-(1-Cyclohexenyl)ethylamine |
CAS: |
3399-73-3 |
Synonyms: |
2-(cyclohexen-1-yl)ethanamine |
IUPAC Name: | 2-(cyclohexen-1-yl)ethanamine |
Description: | 2-(1-Cyclohexenyl)ethylamine (CAS# 3399-73-3) is an intermediate used to synthesize (cyclohexenyl)ethyl (5-halopyridyl) thioureas as inhibitors of multidrug-resistant human immunodeficiency virus-1. It is also used to prepare dextromethorphan (D299455, HBr monohydrate salt), a morphinan. |
Molecular Weight: | 125.21 |
Molecular Formula: | C8H15N |
Canonical SMILES: | C1CCC(=CC1)CCN |
InChI: | InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2 |
InChI Key: | IUDMXOOVKMKODN-UHFFFAOYSA-N |
Boiling Point: | 53-54 °C (2.5 mmHg) |
Melting Point: | -55 °C |
Purity: | 95 % |
Density: | 0.9 g/cm3 |
Appearance: | Clear slightly yellow liquid |
MDL: | MFCD00012058 |
LogP: | 2.53590 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111807968-A | Synthetic method of 2- (1-cyclohexenyl) ethylamine | 20200701 |
US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
WO-2021112933-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
CN-110734378-A | method for preparing chiral allylamine compound with high chemical and stereoselectivity | 20190919 |
WO-2021039824-A1 | Rna methyltransferase inhibitor, screening method therefor, anti-cancer agent efficacy assessment marker, and kit for effectively predicting ftsj1 inhibitor | 20190826 |
PMID | Publication Date | Title | Journal |
22931217 | 20121101 | Elucidation of the multiple roles of CheD in Bacillus subtilis chemotaxis | Molecular microbiology |
22992224 | 20121003 | Computational and experimental analyses reveal the essential roles of interdomain linkers in the biological function of chemotaxis histidine kinase CheA | Journal of the American Chemical Society |
22763749 | 20121001 | Diversity and chemotaxis of soil bacteria with antifungal activity against Fusarium wilt of banana | Journal of industrial microbiology & biotechnology |
22870954 | 20120904 | Ligand affinity and kinase activity are independent of bacterial chemotaxis receptor concentration: insight into signaling mechanisms | Biochemistry |
22780444 | 20120801 | Two CheW coupling proteins are essential in a chemosensory pathway of Borrelia burgdorferi | Molecular microbiology |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.120449483 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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