The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
acetic acid;tert-butyl azetidine-3-carboxylate - 97%, high purity , CAS No.1236144-52-7
Basic Description
Synonyms
tert-Butyl azetidine-3-carboxylate acetate | 1236144-52-7 | TERT-BUTYL AZETIDINE-3-CARBOXYLATE HOAC | acetic acid | tert-butyl azetidine-3-carboxylate | SCHEMBL405308 | MFCD25541913 | AKOS027338905 | SB50780 | tert-Butylazetidine-3-carboxylateacetate | AS
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Azetidinecarboxylic acids
Alternative Parents
Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Azetidinecarboxylic acid - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
acetic acid;tert-butyl azetidine-3-carboxylate
INCHI
InChI=1S/C8H15NO2.C2H4O2/c1-8(2,3)11-7(10)6-4-9-5-6;1-2(3)4/h6,9H,4-5H2,1-3H3;1H3,(H,3,4)
InChIKey
ZAYKPGRYPKUMLW-UHFFFAOYSA-N
Smiles
CC(=O)O.CC(C)(C)OC(=O)C1CNC1
Isomeric SMILES
CC(=O)O.CC(C)(C)OC(=O)C1CNC1
PubChem CID
66677484
Molecular Weight
217.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
217.260 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
217.131 Da
Monoisotopic Mass
217.131 Da
Topological Polar Surface Area
75.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
187.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
