Methyl 4-(2-Amino-2-propyl)benzoate - CAS 79361-96-9
Catalog: |
BB036331 |
Product Name: |
Methyl 4-(2-Amino-2-propyl)benzoate |
CAS: |
79361-96-9 |
Synonyms: |
4-(2-aminopropan-2-yl)benzoic acid methyl ester; methyl 4-(2-aminopropan-2-yl)benzoate |
IUPAC Name: | methyl 4-(2-aminopropan-2-yl)benzoate |
Description: | Methyl 4-(2-Amino-2-propyl)benzoate (CAS# 79361-96-9) is a useful research chemical. |
Molecular Weight: | 193.24 |
Molecular Formula: | C11H15NO2 |
Canonical SMILES: | CC(C)(C1=CC=C(C=C1)C(=O)OC)N |
InChI: | InChI=1S/C11H15NO2/c1-11(2,12)9-6-4-8(5-7-9)10(13)14-3/h4-7H,12H2,1-3H3 |
InChI Key: | SBUZHYFEMUJDEB-UHFFFAOYSA-N |
LogP: | 2.36730 |
Publication Number | Title | Priority Date |
JP-2018522823-A | Inhibitors of Breton-type tyrosine kinase | 20150602 |
KR-20180021740-A | Inhibitor of bruton tyrosine kinase | 20150602 |
WO-2016196776-A2 | Inhibitors of bruton's tyrosine kinase | 20150602 |
US-2021070748-A1 | Inhibitors of brutons tyrosine kinase | 20150602 |
JP-2013107881-A | Pharmaceutical composition containing a novel amide derivative as an active ingredient | 20111026 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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