1-[4-(tert-Butyl)phenyl]cyclopentanecarbonitrile - CAS 1096355-19-9
Catalog: |
BB002525 |
Product Name: |
1-[4-(tert-Butyl)phenyl]cyclopentanecarbonitrile |
CAS: |
1096355-19-9 |
Synonyms: |
1-(4-tert-butylphenyl)-1-cyclopentanecarbonitrile; 1-(4-tert-butylphenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(4-tert-butylphenyl)cyclopentane-1-carbonitrile |
Description: | 1-[4-(tert-Butyl)phenyl]cyclopentanecarbonitrile (CAS# 1096355-19-9 ) is a useful research chemical. |
Molecular Weight: | 227.34 |
Molecular Formula: | C16H21N |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C2(CCCC2)C#N |
InChI: | InChI=1S/C16H21N/c1-15(2,3)13-6-8-14(9-7-13)16(12-17)10-4-5-11-16/h6-9H,4-5,10-11H2,1-3H3 |
InChI Key: | FFIBUMRSZPFVTM-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2020087331-A1 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
US-10961266-B2 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
RU-2637928-C2 | Arylcycloalkylamines derivatives neuroprotector (versions), substances with combined neuroprotector, analgetic and antidepressive action, pharmaceutical compositions based thereon | 20160208 |
WO-2017138838-A1 | Arylcycloalkylamine derivatives exhibiting a neuroprotective, analgesic and antidepressant effect | 20160208 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.167399674 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.167399674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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