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Ethyl butyrimidate hydrochloride - ≥97.0% (AT), high purity , CAS No.2208-08-4
Basic Description
Synonyms
ethyl butaneimidate hydrochloride | Butyrimidic acid, hydrochloride | Ethyl butyrimidate hydrochloride | Ethyl butanimidate hydrochloride | ethyl butanimidate;hydrochloride | Ethyl butanecarboximidate hydrochloride | Ethylbutyrimidatehydrochloride | MFCD0
Specifications & Purity
≥97%(AT)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboximidic acids and derivatives
Subclass
Imidoesters
Intermediate Tree Nodes
Not available
Direct Parent
Imidoesters
Alternative Parents
Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Imido ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group.
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 butanimidate;hydrochloride
INCHI
InChI=1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H
InChIKey
YGBFFMMKLWVKGU-UHFFFAOYSA-N
Smiles
CCCC(=N)OCC.Cl
Isomeric SMILES
CCCC(=N)OCC.Cl
Molecular Weight
151.63
Reaxy-Rn
3679641
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3679641&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
74-79 °C
Molecular Weight
151.630 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
151.076 Da
Monoisotopic Mass
151.076 Da
Topological Polar Surface Area
33.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
70.900
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
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