tert-Butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate - CAS 174855-53-9
Catalog: |
BB013049 |
Product Name: |
tert-Butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate |
CAS: |
174855-53-9 |
Synonyms: |
4-[2-(aminomethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate |
Description: | tert-Butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate (CAS# 174855-53-9) is a useful research chemical. |
Molecular Weight: | 291.39 |
Molecular Formula: | C16H25N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CN |
InChI: | InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-7-5-4-6-13(14)12-17/h4-7H,8-12,17H2,1-3H3 |
InChI Key: | UINNZXQKTNAOBL-UHFFFAOYSA-N |
Boiling Point: | 430.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.121 g/cm3 |
Appearance: | Solid |
LogP: | 2.90560 |
Publication Number | Title | Priority Date |
US-2018057497-A1 | Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors | 20150309 |
WO-2016142855-A2 | Pyrazolo[1,5-a][1,3,5]triazine and pyrazolo[1,5-a]pyrimidine derivatives as cdk inhibitors | 20150309 |
AU-2015240518-A1 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 20140405 |
AU-2019222848-A1 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 20140405 |
EP-3129371-A1 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 20140405 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.19467705 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.19467705 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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