(S)-N-Boc-4-(2-hydroxyethyl)-2,2-dimethyloxazolidine - CAS 147959-18-0
Catalog: |
BB010252 |
Product Name: |
(S)-N-Boc-4-(2-hydroxyethyl)-2,2-dimethyloxazolidine |
CAS: |
147959-18-0 |
Synonyms: |
(4S)-4-(2-hydroxyethyl)-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester; tert-butyl (4S)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
IUPAC Name: | tert-butyl (4S)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
Description: | (S)-N-Boc-4-(2-hydroxyethyl)-2,2-dimethyloxazolidine (CAS# 147959-18-0) is a useful research chemical. |
Molecular Weight: | 245.32 |
Molecular Formula: | C12H23NO4 |
Canonical SMILES: | CC1(N(C(CO1)CCO)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-9(6-7-14)8-16-12(13,4)5/h9,14H,6-8H2,1-5H3/t9-/m0/s1 |
InChI Key: | ZJICPKTZDLBRQH-VIFPVBQESA-N |
LogP: | 1.67870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3134408-A1 | FACTOR XIa INHIBITORS | 20140422 |
US-10093683-B2 | Factor XIa inhibitors | 20140422 |
US-2017044183-A1 | FACTOR XIa INHIBITORS | 20140422 |
WO-2015164308-A1 | FACTOR XIa INHIBITORS | 20140422 |
EP-3134408-B1 | FACTOR XIa INHIBITORS | 20140422 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.16270821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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