5-(Aminomethyl)furan-2-carbonitrile - CAS 776277-28-2
Catalog: |
BB035997 |
Product Name: |
5-(Aminomethyl)furan-2-carbonitrile |
CAS: |
776277-28-2 |
Synonyms: |
5-(aminomethyl)-2-furancarbonitrile; 5-(aminomethyl)furan-2-carbonitrile |
IUPAC Name: | 5-(aminomethyl)furan-2-carbonitrile |
Description: | 5-(Aminomethyl)furan-2-carbonitrile (CAS# 776277-28-2 ) is a useful research chemical. |
Molecular Weight: | 122.12 |
Molecular Formula: | C6H6N2O |
Canonical SMILES: | C1=C(OC(=C1)C#N)CN |
InChI: | InChI=1S/C6H6N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H,3,7H2 |
InChI Key: | AIBYYQLJOMFINU-UHFFFAOYSA-N |
Boiling Point: | 236.62 ℃ at 760 mmHg |
Density: | 1.196 g/cm3 |
LogP: | 1.31028 |
Publication Number | Title | Priority Date |
US-2020131144-A1 | Amine or (thio)amide containing lxr modulators | 20170718 |
EP-2953950-B1 | Compositions and methods for treating neurodegenerative diseases | 20130211 |
AU-2007256708-A1 | Organic compounds | 20060605 |
AU-2007256708-B2 | Organic compounds | 20060605 |
CA-2653655-A1 | Organic compounds | 20060605 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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