1-Boc-2-oxopiperazine - CAS 889958-14-9
Catalog: |
BB039310 |
Product Name: |
1-Boc-2-oxopiperazine |
CAS: |
889958-14-9 |
Synonyms: |
2-oxo-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-oxopiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 2-oxopiperazine-1-carboxylate |
Description: | 1-Boc-2-oxopiperazine (CAS# 889958-14-9) is a useful research chemical. |
Molecular Weight: | 200.23 |
Molecular Formula: | C9H16N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC1=O |
InChI: | InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7(11)12/h10H,4-6H2,1-3H3 |
InChI Key: | SORUSJZOKKMNQS-UHFFFAOYSA-N |
LogP: | 0.62000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019217972-A1 | Kdm1a inhibitors for the treatment of disease | 20180511 |
AU-2019265022-A1 | KDM1A inhibitors for the treatment of disease | 20180511 |
CA-3103392-A1 | Kdm1a inhibitors for the treatment of disease | 20180511 |
CN-112513020-A | KDM1A inhibitors for the treatment of disease | 20180511 |
EP-3790867-A1 | Kdm1a inhibitors for the treatment of disease | 20180511 |
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: | 4 |
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: | 0.3 |
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