4-(2-Amino-2-propyl)benzonitrile - CAS 130416-46-5
Catalog: |
BB007110 |
Product Name: |
4-(2-Amino-2-propyl)benzonitrile |
CAS: |
130416-46-5 |
Synonyms: |
4-(2-aminopropan-2-yl)benzonitrile; 4-(2-aminopropan-2-yl)benzonitrile |
IUPAC Name: | 4-(2-aminopropan-2-yl)benzonitrile |
Description: | 4-(2-Amino-2-propyl)benzonitrile (CAS# 130416-46-5 ) is a useful research chemical. |
Molecular Weight: | 160.22 |
Molecular Formula: | C10H12N2 |
Canonical SMILES: | CC(C)(C1=CC=C(C=C1)C#N)N |
InChI: | InChI=1S/C10H12N2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6H,12H2,1-2H3 |
InChI Key: | OOSCSCBYFWCCDC-UHFFFAOYSA-N |
MDL: | MFCD13189643 |
LogP: | 2.45238 |
Publication Number | Title | Priority Date |
AU-2016341520-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
EP-3365334-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
JP-2018532737-A | Benzolactam compounds | 20151021 |
KR-20180063895-A | Benzolactam compounds as protein kinase inhibitors | 20151021 |
TW-201722933-A | Benzoguanamine compound | 20151021 |
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: | 1.1 |
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