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ethyl 2-(1-aminocyclopropyl)acetate - 97%, high purity , CAS No.1211516-88-9
Discover ethyl 2-(1-aminocyclopropyl)acetate by Aladdin Scientific in 97% for only $2,534.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
ethyl 2-(1-aminocyclopropyl)acetate | 1211516-88-9 | ethyl2-(1-aminocyclopropyl)acetate | SCHEMBL16276877 | MFCD19215822 | AKOS006352401 | PB48519 | AS-51386 | CS-0049544 | P12553 | EN300-1286562
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
Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic homomonocyclic 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-(1-aminocyclopropyl)acetate
INCHI
InChI=1S/C7H13NO2/c1-2-10-6(9)5-7(8)3-4-7/h2-5,8H2,1H3
InChIKey
JRDMECKJKSZYOQ-UHFFFAOYSA-N
Smiles
CCOC(=O)CC1(CC1)N
Isomeric SMILES
CCOC(=O)CC1(CC1)N
Molecular Weight
143.1836
Reaxy-Rn
20600755
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20600755&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
143.180 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
143.095 Da
Monoisotopic Mass
143.095 Da
Topological Polar Surface Area
52.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
141.000
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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