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Chloromethyl morpholine-4-carboxylate - 97%, high purity , CAS No.93765-68-5
Basic Description
Synonyms
4-Morpholinecarboxylic acid, chloromethyl ester | A928248 | BCP32449 | Chloromethyl morpholine-4-carboxylate | AKOS037646245 | Chloromethylmorpholine-4-carboxylate | LHXLWSDJXYETLZ-UHFFFAOYSA-N | 4-[(Chloromethoxy)carbonyl]morpholine | AS-67567 | F52722 |
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
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
Oxazinanes
Subclass
Morpholines
Intermediate Tree Nodes
Morpholine carboxylic acids and derivatives
Direct Parent
Morpholine carboxylic acids
Alternative Parents
Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Morpholine-4-carboxylic acid - Carbamic acid ester - Dialkyl ether - Ether - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
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
chloromethyl morpholine-4-carboxylate
INCHI
InChI=1S/C6H10ClNO3/c7-5-11-6(9)8-1-3-10-4-2-8/h1-5H2
InChIKey
LHXLWSDJXYETLZ-UHFFFAOYSA-N
Smiles
C1COCCN1C(=O)OCCl
Isomeric SMILES
C1COCCN1C(=O)OCCl
Reaxy-Rn
10336056
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10336056&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
179.600 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
179.035 Da
Monoisotopic Mass
179.035 Da
Topological Polar Surface Area
38.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136.000
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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