4-Amino-3-ethyl-5-methylbenzonitrile - CAS 1150644-73-7
Catalog: |
BB003489 |
Product Name: |
4-Amino-3-ethyl-5-methylbenzonitrile |
CAS: |
1150644-73-7 |
Synonyms: |
4-amino-3-ethyl-5-methylbenzonitrile; 4-amino-3-ethyl-5-methylbenzonitrile |
IUPAC Name: | 4-amino-3-ethyl-5-methylbenzonitrile |
Description: | 4-Amino-3-ethyl-5-methylbenzonitrile (CAS# 1150644-73-7 ) is a useful research chemical. |
Molecular Weight: | 160.22 |
Molecular Formula: | C10H12N2 |
Canonical SMILES: | CCC1=CC(=CC(=C1N)C)C#N |
InChI: | InChI=1S/C10H12N2/c1-3-9-5-8(6-11)4-7(2)10(9)12/h4-5H,3,12H2,1-2H3 |
InChI Key: | OXZGIOUSFGKIFM-UHFFFAOYSA-N |
LogP: | 2.59248 |
Publication Number | Title | Priority Date |
AU-2010272219-A1 | Pyridin-4-yl derivatives | 20090716 |
AU-2010272219-B2 | Pyridin-4-yl derivatives | 20090716 |
CA-2767585-A1 | Pyridin-4-yl derivatives | 20090716 |
CA-2767585-C | Pyridin-4-yl derivatives | 20090716 |
CN-102471328-A | Pyridin-4-yl derivatives | 20090716 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.100048391 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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