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N-Ethylmorpholine - 99%, high purity , CAS No.100-74-3
Basic Description
Synonyms
Ethylmorpholine | CAS-100-74-3 | HSDB 1644 | Morpholine, 4-ethyl- | SCHEMBL3167 | CCRIS 4818 | E0145 | 4-27-00-00023 (Beilstein Handbook Reference) | 6LB | DTXCID205312 | NCGC00258655-01 | Dabco NEM | UNII-ECM0G991FQ | 4-Ethylmorpholine | 4-ethyl-morpholi
Specifications & Purity
≥99%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazinanes
Subclass
Morpholines
Intermediate Tree Nodes
Not available
Direct Parent
Morpholines
Alternative Parents
Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Morpholine - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
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
Pubchem Sid
488180473
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180473
IUPAC Name
4-ethylmorpholine
INCHI
InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
InChIKey
HVCNXQOWACZAFN-UHFFFAOYSA-N
Smiles
CCN1CCOCC1
Isomeric SMILES
CCN1CCOCC1
WGK Germany
1
RTECS
QE4025000
UN Number
1993
Packing Group
I
Molecular Weight
115.17
Beilstein
102969
Reaxy-Rn
102969
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102969&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Miscible with water.
Sensitivity
Moisture sensitive.
Refractive Index
1.441
Flash Point(°C)
(open cup)32℃
Boil Point(°C)
138°C
Melt Point(°C)
-63°C
Molecular Weight
115.170 g/mol
XLogP3
0.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
115.1 Da
Monoisotopic Mass
115.1 Da
Topological Polar Surface Area
12.500 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
59.500
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
Citations of This Product
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