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2-(azetidin-3-yl)acetonitrile hydrochloride - 97%, high purity , CAS No.1423057-36-6
Discover 2-(azetidin-3-yl)acetonitrile hydrochloride by Aladdin Scientific in 97% for only $4,460.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(azetidin-3-yl)acetonitrile hydrochloride | 1423057-36-6 | 2-(Azetidin-3-yl)acetonitrile HCl | 2-(azetidin-3-yl)acetonitrile;hydrochloride | SCHEMBL14697286 | AMY34671 | YGC05736 | MFCD28501222 | AKOS025289616 | SB11121 | AS-52277 | SY032761 | 2-(3-Azetidinyl)acetonitrile Hydr
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
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
IUPAC Name
2-(azetidin-3-yl)acetonitrile;hydrochloride
INCHI
InChI=1S/C5H8N2.ClH/c6-2-1-5-3-7-4-5;/h5,7H,1,3-4H2;1H
InChIKey
SJSKCHPFJJQTBK-UHFFFAOYSA-N
Smiles
C1C(CN1)CC#N.Cl
Isomeric SMILES
C1C(CN1)CC#N.Cl
Molecular Weight
132.591
Reaxy-Rn
35297915
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35297915&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
132.590 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
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
95.900
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
2
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