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ethyl 2-(3-aminooxetan-3-yl)acetate hemioxalate - 97%, high purity , CAS No.1207175-54-9
Discover ethyl 2-(3-aminooxetan-3-yl)acetate hemioxalate by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
Ethyl 2-(3-aminooxetan-3-yl)acetate | 1207175-54-9 | Ethyl2-(3-aminooxetan-3-yl)acetate | Ethyl (3-aminooxetan-3-yl)acetate | MFCD14586408 | (3-Amino-oxetan-3-yl)-acetic acid ethyl ester | SCHEMBL13467945 | DTXSID40717347 | IOZAQTKXFQIWIH-UHFFFAOYSA-N | AKOS006336490 | 3-ami
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Oxetanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Carboxylic acid ester - Oxetane - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Primary amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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
ethyl 2-(3-aminooxetan-3-yl)acetate
INCHI
InChI=1S/C7H13NO3/c1-2-11-6(9)3-7(8)4-10-5-7/h2-5,8H2,1H3
InChIKey
IOZAQTKXFQIWIH-UHFFFAOYSA-N
Smiles
CCOC(=O)CC1(COC1)N
Isomeric SMILES
CCOC(=O)CC1(COC1)N
Molecular Weight
408.404
Reaxy-Rn
23494634
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23494634&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
159.180 g/mol
XLogP3
-0.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
159.09 Da
Monoisotopic Mass
159.09 Da
Topological Polar Surface Area
61.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
154.000
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
1
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