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N-Nitrosomorpholine - >99.0%(GC), high purity , CAS No.59-89-2
Basic Description
Synonyms
SCHEMBL1578515 | DTXCID001056 | 4-Nitrosomorpholine 1.0 mg/ml in Methanol | BRN 0112139 | STL301087 | 4-Nitrosomorpholine | 4-Nitroso-morpholine | EN300-7323775 | NMOR | N0466 | Q22138414 | CHEBI:76326 | T72681 | 3L25FO7FN7 | DTXSID4021056 | 1219805-76-1
Specifications & Purity
≥99%(GC)
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
Organic N-nitroso compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Morpholine - Organic n-nitroso compound - Organic nitroso compound - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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
nitrosamine
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488179995
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488179995
IUPAC Name
4-nitrosomorpholine
INCHI
InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
InChIKey
ZKXDGKXYMTYWTB-UHFFFAOYSA-N
Smiles
C1COCCN1N=O
Isomeric SMILES
C1COCCN1N=O
WGK Germany
2
UN Number
2810
Packing Group
I
Molecular Weight
116.12
Reaxy-Rn
112139
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112139&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Completely soluble; Soluble in Methanol
Sensitivity
Air Sensitive
Freezing Point(°C)
29 °C
Boil Point(°C)
225 °C
Melt Point(°C)
29 °C
Molecular Weight
116.120 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
116.059 Da
Monoisotopic Mass
116.059 Da
Topological Polar Surface Area
41.900 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
80.100
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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2 Citations
C2313294