Benzyl Azetidin-3-ylcarbamate - CAS 914348-04-2
Catalog: |
BB040186 |
Product Name: |
Benzyl Azetidin-3-ylcarbamate |
CAS: |
914348-04-2 |
Synonyms: |
N-(3-azetidinyl)carbamic acid (phenylmethyl) ester; benzyl N-(azetidin-3-yl)carbamate |
IUPAC Name: | benzyl N-(azetidin-3-yl)carbamate |
Description: | Benzyl Azetidin-3-ylcarbamate (CAS# 914348-04-2) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C11H14N2O2 |
Canonical SMILES: | C1C(CN1)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C11H14N2O2/c14-11(13-10-6-12-7-10)15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14) |
InChI Key: | UWOOBFRZDNDUQB-UHFFFAOYSA-N |
Appearance: | White solid |
LogP: | 1.60430 |
GHS Hazard Statement: | H302 (16.67%): 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-2020138015-A1 | Pyrazolo[1,5-a]pyrimidine macrocyclic compound | 20181227 |
AU-2018325451-A1 | 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 |
CN-111629728-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 20170831 |
EP-3675856-A1 | Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor | 20170831 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.105527694 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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