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1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide - 98%, high purity , CAS No.138666-59-8
Basic Description
Synonyms
1,8-Diazabicyclo[5.4.0]-7-undeceneHydrogenTribromide | 1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE HYDROTRIBROMIDE | D90241 | 1,8-Diazabicyclo[5.4.0]-7-undecene hydrogen tribromide, 98% | MFCD00191982 | molecular bromine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]az
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Protected from light
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
Azepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepanes
Alternative Parents
Imidolactams Hydropyrimidines Tertiary amines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azepane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Carboxylic acid amidine - Amidine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Hydrobromide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen 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
molecular bromine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;hydrobromide
INCHI
InChI=1S/C9H16N2.Br2.BrH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-2;/h1-8H2;;1H
InChIKey
QRUHFOGNKQZFMD-UHFFFAOYSA-N
Smiles
C1CCC2=NCCCN2CC1.Br.BrBr
Isomeric SMILES
C1CCC2=NCCCN2CC1.Br.BrBr
WGK Germany
3
PubChem CID
56593867
Molecular Weight
392.96
Reaxy-Rn
5464595
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light & Moisture sensitive
Melt Point(°C)
123 °C
Molecular Weight
392.960 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
391.892 Da
Monoisotopic Mass
389.894 Da
Topological Polar Surface Area
15.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
163.000
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
3
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K2302321