1-Boc-3-oxopiperazine - CAS 76003-29-7
Catalog: |
BB035462 |
Product Name: |
1-Boc-3-oxopiperazine |
CAS: |
76003-29-7 |
Synonyms: |
tert-butyl 3-oxopiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 3-oxopiperazine-1-carboxylate |
Description: | 1-Boc-3-oxopiperazine (CAS# 76003-29-7) is used in the synthesis of renin inhibitors. Also used in the synthesis of isoindoline inhibitors of dipeptidyl peptidases. |
Molecular Weight: | 200.23 |
Molecular Formula: | C9H16N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(=O)C1 |
InChI: | InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12) |
InChI Key: | FCMLWBBLOASUSO-UHFFFAOYSA-N |
Boiling Point: | 359.1 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.129 g/cm3 |
MDL: | MFCD02181069 |
LogP: | 0.62000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021210650-A1 | Aryl or heteroaryl derivative | 20200416 |
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Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.11609238 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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