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2-(morpholin-4-yl)ethane-1,1-diol hydrochloride - 97%, high purity , CAS No.1788043-90-2
Basic Description
Synonyms
1788043-90-2 | 2-Morpholinoethane-1,1-diol hydrochloride | 2-(morpholin-4-yl)ethane-1,1-diol hydrochloride | 2-morpholin-4-ylethane-1,1-diol;hydrochloride | 2-(Morpholin-4-yl)ethane-1,1-diol HCl | 4-Morpholine Acetaldehyde HCl H2O | MFCD08276489 | AKOS025396296 | SB12062
Specifications & Purity
≥97%
Storage Temp
Room temperature
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 Carbonyl hydrates Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Morpholine - Tertiary amine - Tertiary aliphatic amine - Carbonyl hydrate - Dialkyl ether - Ether - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - 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
IUPAC Name
2-morpholin-4-ylethane-1,1-diol;hydrochloride
INCHI
InChI=1S/C6H13NO3.ClH/c8-6(9)5-7-1-3-10-4-2-7;/h6,8-9H,1-5H2;1H
InChIKey
MQMFLUOEHRJGTN-UHFFFAOYSA-N
Smiles
C1COCCN1CC(O)O.Cl
Isomeric SMILES
C1COCCN1CC(O)O.Cl
PubChem CID
91933797
Molecular Weight
183.633
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.630 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
183.066 Da
Monoisotopic Mass
183.066 Da
Topological Polar Surface Area
52.900 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
91.000
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
2
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