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
3-(4-Amino-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester - 96%, high purity , CAS No.862874-75-7
Basic Description
Synonyms
862874-75-7 | tert-Butyl 3-(4-aminophenoxy)pyrrolidine-1-carboxylate | 3-(4-Amino-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester | 3-(4-Aminophenoxy)pyrrolidine-1-carboxylic acid tert-butyl ester | SCHEMBL699609 | tert-Butyl3-(4-aminophenoxy)pyrrolidine-1-
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Aminophenyl ethers
Intermediate Tree Nodes
Not available
Direct Parent
Aminophenyl ethers
Alternative Parents
Pyrrolidine carboxylic acids Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Carbamate esters Tertiary amines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminophenyl ether - Phenoxy compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidine - Carbamic acid ester - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene 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
tert-butyl 3-(4-aminophenoxy)pyrrolidine-1-carboxylate
INCHI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-8-13(10-17)19-12-6-4-11(16)5-7-12/h4-7,13H,8-10,16H2,1-3H3
InChIKey
RYWQNZFJMSYAED-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)N
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)N
Molecular Weight
278.4
Reaxy-Rn
14443511
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14443511&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.350 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
278.163 Da
Monoisotopic Mass
278.163 Da
Topological Polar Surface Area
64.800 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
333.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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.
