3-piperidinecarbonitrile - CAS 7492-88-8
Catalog: |
BB035193 |
Product Name: |
3-piperidinecarbonitrile |
CAS: |
7492-88-8 |
Synonyms: |
3-piperidinecarbonitrile; piperidine-3-carbonitrile |
IUPAC Name: | piperidine-3-carbonitrile |
Description: | 3-piperidinecarbonitrile (CAS# 7492-88-8) is an intermediate used to prepare pyrazolopyrimidine janus kinase inhibitors useful in the treatment of JAK-associated diseases. It is also used in the synthesis of triazines and related compds. as antiviral agents for treating HCV infection and HCV-assocd. disorders. |
Molecular Weight: | 110.16 |
Molecular Formula: | C6H10N2 |
Canonical SMILES: | C1CC(CNC1)C#N |
InChI: | InChI=1S/C6H10N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-3,5H2 |
InChI Key: | ZGNXATVKGIJQGC-UHFFFAOYSA-N |
Boiling Point: | 226.4 °C at 760 mmHg |
Density: | 0.98 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01321091 |
LogP: | 0.83838 |
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, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112209923-A | Synthesis and application of near-infrared fluorescent probe for high-selectivity detection of Cys/Hcy and GSH | 20201014 |
WO-2021203016-A2 | Protein-protein interaction stabilizers | 20200403 |
WO-2021074620-A1 | [1,4]oxazepino[2,3-c]qui noli none derivatives as blc6 inhibitors | 20191014 |
WO-2021076448-A1 | Somatostatin modulators for treating pituitary adenomas | 20191014 |
US-2020323904-A1 | 3-substituted piperidine compounds for cbl-b inhibition, and use of a cbl-b inhibitor in combination with a cancer vaccine and/or oncolytic virus | 20190409 |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.084398327 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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