Pyrrole-2-acetonitrile - CAS 50551-29-6
Catalog: |
BB027108 |
Product Name: |
Pyrrole-2-acetonitrile |
CAS: |
50551-29-6 |
Synonyms: |
2-(1H-pyrrol-2-yl)acetonitrile; 2-(1H-pyrrol-2-yl)acetonitrile |
IUPAC Name: | 2-(1H-pyrrol-2-yl)acetonitrile |
Description: | Pyrrole-2-acetonitrile (CAS# 50551-29-6 ) is a useful research chemical. |
Molecular Weight: | 106.13 |
Molecular Formula: | C6H6N2 |
Canonical SMILES: | C1=CNC(=C1)CC#N |
InChI: | InChI=1S/C6H6N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3H2 |
InChI Key: | MKVATVUOVMCHJJ-UHFFFAOYSA-N |
LogP: | 1.08078 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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-2020048828-A1 | 5-heteroaryl-3,9-diazaspiro[5.5]undecane compounds | 20180903 |
JP-6647592-B2 | Pyrrolopyrrole carbamates and related organic compounds, pharmaceutical compositions, and medical uses thereof | 20130703 |
JP-2015520199-A | Novel bicyclic thiophenylamide compounds | 20120619 |
JP-6215924-B2 | Novel bicyclic thiophenylamide compounds | 20120619 |
WO-2011150201-A2 | Azolyl amide compounds and methods of use thereof | 20100527 |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.053098200 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 39.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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