(R)-1-Boc-3-(hydroxymethyl)piperazine - CAS 278788-66-2
Catalog: |
BB019696 |
Product Name: |
(R)-1-Boc-3-(hydroxymethyl)piperazine |
CAS: |
278788-66-2 |
Synonyms: |
(3R)-3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate |
Description: | (R)-1-Boc-3-(hydroxymethyl)piperazine (CAS# 278788-66-2) is a used as a building block for the preparation of PI3K inhibitors for rheumatoid arthritis treatment,benzoxaborole derivatives as antimalarial agents and anti-tuberculosis agents. |
Molecular Weight: | 216.28 |
Molecular Formula: | C10H20N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)CO |
InChI: | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m1/s1 |
InChI Key: | NSILYQWHARROMG-MRVPVSSYSA-N |
Boiling Point: | 322.9 °C at 760 mmHg |
Density: | 1.085 g/cm3 |
MDL: | MFCD05863888 |
LogP: | 0.45430 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.14739250 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.14739250 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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