1-Boc-3,3-dimethylpiperazine - CAS 259808-67-8
Catalog: |
BB019094 |
Product Name: |
1-Boc-3,3-dimethylpiperazine |
CAS: |
259808-67-8 |
Synonyms: |
3,3-dimethyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3,3-dimethylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 3,3-dimethylpiperazine-1-carboxylate |
Description: | 1-Boc-3,3-dimethylpiperazine (CAS# 259808-67-8) is a useful research chemical. |
Molecular Weight: | 214.30 |
Molecular Formula: | C11H22N2O2 |
Canonical SMILES: | CC1(CN(CCN1)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3 |
InChI Key: | LBAIYWWWORXVEQ-UHFFFAOYSA-N |
Boiling Point: | 275.1 °C at 760 mmHg |
Density: | 0.977 g/cm3 |
LogP: | 1.87200 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021175913-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021066958-A1 | Inhibitor of btk and mutants thereof | 20191005 |
US-2021024492-A1 | Novel pyridazines | 20190722 |
WO-2021013832-A1 | 1-(6-(methoxy)pyridazin-3-yl)cyclopropane-1-carboxamide derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway diseases | 20190722 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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