3-Methylazetidine-3-carbonitrile Hydrochloride - CAS 936850-33-8
Catalog: |
BB041022 |
Product Name: |
3-Methylazetidine-3-carbonitrile Hydrochloride |
CAS: |
936850-33-8 |
Synonyms: |
3-methyl-3-azetidinecarbonitrile;hydrochloride; 3-methylazetidine-3-carbonitrile;hydrochloride |
IUPAC Name: | 3-methylazetidine-3-carbonitrile;hydrochloride |
Description: | 3-Methylazetidine-3-carbonitrile Hydrochloride (CAS# 936850-33-8) is used for preparation of pyrrolopyrazine as kinase inhibitors useful for the treatment of autoimmune and inflammatory diseases. |
Molecular Weight: | 132.59 |
Molecular Formula: | C5H9ClN2 |
Canonical SMILES: | CC1(CNC1)C#N.Cl |
InChI: | InChI=1S/C5H8N2.ClH/c1-5(2-6)3-7-4-5;/h7H,3-4H2,1H3;1H |
InChI Key: | DCXJKYVRMRUVTJ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.25028 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021055591-A1 | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
TW-201942115-A | Substituted quinazolines and pyridopyrimidine derivatives as anticancer drugs | 20180201 |
US-10662204-B2 | Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents | 20180201 |
US-2019233440-A1 | Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents | 20180201 |
WO-2019150305-A1 | Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents | 20180201 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.0454260 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.0454260 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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