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2-(diphenylmethyl)-2,6-diazaspiro[3.4]octane - 97%, high purity , CAS No.1250443-61-8
Basic Description
Synonyms
1250443-61-8 | 2-(DIPHENYLMETHYL)-2,6-DIAZASPIRO[3.4]OCTANE | 2-Benzhydryl-2,6-diazaspiro[3.4]octane | 2-benzhydryl-2,7-diazaspiro[3.4]octane | 2,6-Diazaspiro[3.4]octane, 2-(diphenylmethyl)- | DTXSID801258472 | MFCD16987815 | AKOS027325992 | PB30152 | AS-51131 | CS-0052233 | P
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
Aralkylamines Pyrrolidines Trialkylamines Azetidines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diphenylmethane - Aralkylamine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azetidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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-benzhydryl-2,7-diazaspiro[3.4]octane
INCHI
InChI=1S/C19H22N2/c1-3-7-16(8-4-1)18(17-9-5-2-6-10-17)21-14-19(15-21)11-12-20-13-19/h1-10,18,20H,11-15H2
InChIKey
SYMQBAASXLKRNK-UHFFFAOYSA-N
Smiles
C1CNCC12CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES
C1CNCC12CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Molecular Weight
278.399
Reaxy-Rn
38258059
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38258059&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.400 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
278.178 Da
Monoisotopic Mass
278.178 Da
Topological Polar Surface Area
15.300 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
317.000
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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