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ISOBUTYRALDEHYDE OXIME , CAS No.151-00-8
Discover ISOBUTYRALDEHYDE OXIME by Aladdin Scientific in for only $100.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
Isobutyraldehyde oxime | Isobutylaldoxime | 151-00-8 | 2-Methylpropanal oxime | Isobutanal oxime | (E)-isobutyraldoxime | Isobutyraldoxime | Isobutyraldeoxime | (E)-isobutyraldehyde oxime | Propanal, 2-methyl-, oxime | (NE)-N-(2-methylpropylidene)hydroxylamine | 2-Methyl-1-pro
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Oximes
Intermediate Tree Nodes
Not available
Direct Parent
Aldoximes
Alternative Parents
Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Aldoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as aldoximes. These are organic compounds with the general formula RC(H)=NOH (R = organyl).
External Descriptors
2-methylpropanal oxime
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
(NE)-N-(2-methylpropylidene)hydroxylamine
INCHI
InChI=1S/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3+
InChIKey
SYJPAKDNFZLSMV-HWKANZROSA-N
Smiles
CC(C)C=NO
Isomeric SMILES
CC(C)/C=N/O
Molecular Weight
87.122
Reaxy-Rn
1209325
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209325&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
87.120 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
87.0684 Da
Monoisotopic Mass
87.0684 Da
Topological Polar Surface Area
32.600 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
49.500
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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