tert-Butyl Azetidine-3-carboxylate Hydrochloride - CAS 53871-08-2
Catalog: |
BB028380 |
Product Name: |
tert-Butyl Azetidine-3-carboxylate Hydrochloride |
CAS: |
53871-08-2 |
Synonyms: |
3-azetidinecarboxylic acid tert-butyl ester;hydrochloride; tert-butyl azetidine-3-carboxylate;hydrochloride |
IUPAC Name: | tert-butyl azetidine-3-carboxylate;hydrochloride |
Description: | tert-Butyl Azetidine-3-carboxylate Hydrochloride (CAS# 53871-08-2) is a useful research chemical. |
Molecular Weight: | 193.67 |
Molecular Formula: | C8H16ClNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1CNC1.Cl |
InChI: | InChI=1S/C8H15NO2.ClH/c1-8(2,3)11-7(10)6-4-9-5-6;/h6,9H,4-5H2,1-3H3;1H |
InChI Key: | JROLDIFBZMRPMP-UHFFFAOYSA-N |
LogP: | 1.67830 |
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-2021148420-A1 | Novel heterocyclic compounds | 20200122 |
CN-112279848-A | Pan-JAKs inhibitor and application thereof | 20190725 |
AU-2018325451-A1 | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 20170831 |
KR-20200061346-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 20170831 |
WO-2019046784-A1 | COMPOUNDS AND METHODS FOR MODULATION OF A2B RECEPTOR OF ADENOSINE AND A2A RECEPTOR OF ADENOSINE | 20170831 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0869564 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0869564 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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