(S)-1-Boc-3-methylpiperazine - CAS 147081-29-6
Catalog: |
BB010153 |
Product Name: |
(S)-1-Boc-3-methylpiperazine |
CAS: |
147081-29-6 |
Synonyms: |
(3S)-3-methyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-methylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl (3S)-3-methylpiperazine-1-carboxylate |
Description: | (S)-1-Boc-3-methylpiperazine (CAS# 147081-29-6) is a reagent used in the synthesis of benzamide peptidomimetic as non-ATP competitive inihbitors. |
Molecular Weight: | 200.28 |
Molecular Formula: | C10H20N2O2 |
Canonical SMILES: | CC1CN(CCN1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1 |
InChI Key: | FMLPQHJYUZTHQS-QMMMGPOBSA-N |
Boiling Point: | 268.7 °C at 760 mmHg |
Density: | 0.997 g/cm3 |
MDL: | MFCD02683204 |
LogP: | 1.48190 |
GHS Hazard Statement: | H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021127404-A1 | Tricyclic pyridones and pyrimidones | 20191220 |
WO-2021109737-A1 | Oxygen-containing heterocyclic compound, preparation method and application thereof | 20191202 |
WO-2021104431-A1 | Kras g12c inhibitor compound and use thereof | 20191129 |
WO-2021108683-A1 | Covalent ras inhibitors and uses thereof | 20191127 |
WO-2021097207-A1 | Improved synthesis of kras g12c inhibitor compound | 20191114 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.152477885 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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