3-Boc-2,2-dimethyloxazolidine-4-methanol - CAS 196964-59-7
Catalog: |
BB015222 |
Product Name: |
3-Boc-2,2-dimethyloxazolidine-4-methanol |
CAS: |
196964-59-7 |
Synonyms: |
4-(hydroxymethyl)-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester; tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
IUPAC Name: | tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
Description: | 3-Boc-2,2-dimethyloxazolidine-4-methanol (CAS# 196964-59-7 ) is a useful research chemical. |
Molecular Weight: | 231.29 |
Molecular Formula: | C11H21NO4 |
Canonical SMILES: | CC1(N(C(CO1)CO)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h8,13H,6-7H2,1-5H3 |
InChI Key: | DWFOEHLGMZJBAA-UHFFFAOYSA-N |
LogP: | 0.00000 |
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-2020127780-A1 | Heterocyclyl pyridazine as fungicidal compounds | 20181220 |
TW-202039468-A | Heterocyclyl pyridazine as fungicidal compounds | 20181220 |
EP-3898620-A1 | Heterocyclyl pyridazine as fungicidal compounds | 20181220 |
US-10550105-B2 | Pyridazinones as PARP7 inhibitors | 20180430 |
US-2019330194-A1 | Pyridazinones as parp7 inhibitors | 20180430 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.14705815 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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