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4-Methoxy-1,2,5-oxadiazol-3-amine - Reagent Grade, high purity , CAS No.78350-48-8
Basic Description
Synonyms
AG-205/25005622 | 4-Methoxy-1,2,5-oxadiazol-3-amine, AldrichCPR | 4-methoxy-1,2,5-oxadiazole-3-ylamine | 4-Methoxy-furazan-3-ylamine | DTXSID30341736 | 4-Methoxy-1,2,5-oxadiazol-3-amine | 4-methoxy-1,2,5-oxadiazol-3-ylamine | BS-36220 | 3-Amino-4-methoxyf
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Imidolactams Heteroaromatic compounds Furazans Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Imidolactam - Heteroaromatic compound - Oxadiazole - Furazan - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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
4-methoxy-1,2,5-oxadiazol-3-amine
INCHI
InChI=1S/C3H5N3O2/c1-7-3-2(4)5-8-6-3/h1H3,(H2,4,5)
InChIKey
BZXHBVIPEFVWOR-UHFFFAOYSA-N
Smiles
COC1=NON=C1N
Isomeric SMILES
COC1=NON=C1N
Molecular Weight
115.09
Reaxy-Rn
4376471
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4376471&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
115.090 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
115.038 Da
Monoisotopic Mass
115.038 Da
Topological Polar Surface Area
74.200 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
78.900
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
1
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