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N-(2-Propynyl)succinimide - 98%, high purity , CAS No.10478-33-8
Basic Description
Synonyms
CS-0440190 | AS-63040 | 1-prop-2-ynyl-pyrrolidine-2,5-dione | 1-prop-2-ynylpyrrolidine-2,5-dione | AKOS000271351 | C14080 | SBB039933 | N-propargylsuccinimide | 1-(Prop-2-yn-1-yl)pyrrolidine-2,5-dione | MFCD06740819 | SCHEMBL11726006 | DTXSID10406130 | DO
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid imides
Direct Parent
N-substituted carboxylic acid imides
Alternative Parents
Pyrrolidine-2-ones N-alkylpyrrolidines Dicarboximides Lactams Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dicarboximide - Pyrrolidine - Lactam - Azacycle - Organoheterocyclic compound - Acetylide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-substituted carboxylic acid imides. These are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H).
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
504763119
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763119
IUPAC Name
1-prop-2-ynylpyrrolidine-2,5-dione
INCHI
InChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1H,3-5H2
InChIKey
DOTAQRZGKATJIC-UHFFFAOYSA-N
Smiles
C#CCN1C(=O)CCC1=O
Isomeric SMILES
C#CCN1C(=O)CCC1=O
Molecular Weight
137.14
Reaxy-Rn
1525668
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1525668&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
237°C(lit.)
Melt Point(°C)
53 °C
Molecular Weight
137.140 g/mol
XLogP3
-0.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
137.048 Da
Monoisotopic Mass
137.048 Da
Topological Polar Surface Area
37.400 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
207.000
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
1
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E2320592