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3-methylazetidine-3-carbonitrile hydrochloride - 97%, high purity , CAS No.936850-33-8
Basic Description
Synonyms
936850-33-8 | 3-Methylazetidine-3-carbonitrile hydrochloride | 3-CYANO-3-METHYLAZETIDINE HYDROCHLORIDE | 3-CYANO-3-METHYLAZETIDINE HCL | 3-methylazetidine-3-carbonitrile;hydrochloride | 3-METHYL-3-AZETIDINECARBONITRILE HYDROCHLORIDE | 3-Methylazetidine-3-carbonitrile
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azetidines
Alternative Parents
Nitriles Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Azetidine - Azacycle - Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as azetidines. These are organic compounds containing a saturated four-member heterocycle where one nitrogen atom replaces a carbon atom.
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
504771615
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771615
IUPAC Name
3-methylazetidine-3-carbonitrile;hydrochloride
INCHI
InChI=1S/C5H8N2.ClH/c1-5(2-6)3-7-4-5;/h7H,3-4H2,1H3;1H
InChIKey
DCXJKYVRMRUVTJ-UHFFFAOYSA-N
Smiles
CC1(CNC1)C#N.Cl
Isomeric SMILES
CC1(CNC1)C#N.Cl
Molecular Weight
132.59
Reaxy-Rn
21801427
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21801427&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Molecular Weight
132.590 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
132.045 Da
Monoisotopic Mass
132.045 Da
Topological Polar Surface Area
35.800 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
115.000
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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F2305426