1-Boc-1,4-diazepan-5-one - CAS 190900-21-1
Catalog: |
BB014758 |
Product Name: |
1-Boc-1,4-diazepan-5-one |
CAS: |
190900-21-1 |
Synonyms: |
5-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester; tert-butyl 5-oxo-1,4-diazepane-1-carboxylate |
IUPAC Name: | tert-butyl 5-oxo-1,4-diazepane-1-carboxylate |
Description: | 1-Boc-1,4-diazepan-5-one (CAS# 190900-21-1) is a useful research chemical. |
Molecular Weight: | 214.26 |
Molecular Formula: | C10H18N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=O)NCC1 |
InChI: | InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13) |
InChI Key: | GLJYPTWEXBUATJ-UHFFFAOYSA-N |
Boiling Point: | 373.1 °C at 760 mmHg |
Density: | 1.098 g/cm3 |
MDL: | MFCD04115319 |
LogP: | 1.01010 |
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-2021127337-A1 | Trpml modulators | 20191219 |
US-2020199114-A1 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | 20181018 |
EP-3699173-A1 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | 20181018 |
AU-2018356556-A1 | New alcoxyamino derivatives for treating pain and pain related conditions | 20171027 |
WO-2019081691-A1 | NOVEL ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN DISEASES ASSOCIATED WITH PAIN | 20171027 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.13174244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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