4-Boc-1-(6-methyl-2-pyridyl)piperazine - CAS 127188-33-4
Catalog: |
BB006740 |
Product Name: |
4-Boc-1-(6-methyl-2-pyridyl)piperazine |
CAS: |
127188-33-4 |
Synonyms: |
tert-butyl 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate |
Description: | 4-Boc-1-(6-methyl-2-pyridyl)piperazine (CAS# 127188-33-4 ) is a useful research chemical. |
Molecular Weight: | 277.36 |
Molecular Formula: | C15H23N3O2 |
Canonical SMILES: | CC1=NC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H23N3O2/c1-12-6-5-7-13(16-12)17-8-10-18(11-9-17)14(19)20-15(2,3)4/h5-7H,8-11H2,1-4H3 |
InChI Key: | QEDVZUFNZJJSJL-UHFFFAOYSA-N |
Boiling Point: | 409.3 °C at 760 mmHg |
Melting Point: | 80-84 °C(lit.) |
Purity: | 95 % |
Density: | 1.111 g/cm3 |
Appearance: | White to off-white to yellow powder, crystals, crystalline powder and/or chunks |
LogP: | 2.45000 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-201834657-A | poly-ADP ribose polymerase (PARP) inhibitor | 20161230 |
US-2020071299-A1 | Poly-adp ribose polymerase (parp) inhibitors | 20161230 |
WO-2018125961-A1 | Poly-adp ribose polymerase (parp) inhibitors | 20161230 |
EP-3562822-B1 | Poly-adp ribose polymerase (parp) inhibitors | 20161230 |
US-11034670-B2 | Poly-ADP ribose polymerase (PARP) inhibitors | 20161230 |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.17902698 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.17902698 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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