3-Morpholinecarbonitrile - CAS 97039-63-9
Catalog: |
BB058938 |
Product Name: |
3-Morpholinecarbonitrile |
CAS: |
97039-63-9 |
Synonyms: |
Morpholine-3-carbonitrile |
IUPAC Name: | morpholine-3-carbonitrile |
Description: | 3-Morpholinecarbonitrile is used as a reactant in the synthesis of N-methyl pyrimidone derivatives as potent and orally bioavailable HIV integrase inhibitors. |
Molecular Weight: | 112.13 |
Molecular Formula: | C5H8N2O |
Canonical SMILES: | C1COCC(N1)C#N |
InChI: | InChI=1S/C5H8N2O/c6-3-5-4-8-2-1-7-5/h5,7H,1-2,4H2 |
InChI Key: | OTGILAPKWVHCSM-UHFFFAOYSA-N |
References: | Gardelli, C., et. al. J. Med. Chem., 50, 4953 (2007). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113072460-A | Morpholine derivative oxidation ring-opening method and product thereof | 20210331 |
TW-202134230-A | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 20191128 |
TW-202124370-A | Microbiocidal dihydroisoquinoline derivatives | 20191016 |
TW-202115058-A | Eif4e-inhibiting compounds and methods | 20190702 |
TW-202043221-A | PDE9 inhibitor and its use | 20190108 |
CN-108218806-A | A kind of preparation method of N- tertbutyloxycarbonyls morpholine -3- carboxylic acids | 20180402 |
CN-108395413-A | A kind of preparation method of morpholine -3- carboxylic acids | 20180402 |
AU-2018350592-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20171020 |
CA-3079449-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20171020 |
BR-112020007541-A2 | compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20171020 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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