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1,5-Diazabicyclo[4.3.0]-5-nonene - 97%, high purity , CAS No.3001-72-7
Basic Description
Synonyms
DBN | 1,5-Diazabicyclo[4.3.0]non-5-ene | 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine | Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro- | 2H,3H,4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
N-alkylpyrrolidines Imidolactams Hydropyrimidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - N-alkylpyrrolidine - Imidolactam - Pyrrolidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Carboximidamide - Amidine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
INCHI
InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2
InChIKey
SGUVLZREKBPKCE-UHFFFAOYSA-N
Smiles
C1CC2=NCCCN2C1
Isomeric SMILES
C1CC2=NCCCN2C1
WGK Germany
3
Molecular Weight
124.18
Beilstein
2417
Reaxy-Rn
2417
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2417&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in ether, methanol, acetone and water
Sensitivity
air & Moisture & light sensitive
Refractive Index
1.52
Flash Point(°F)
201.2 °F
Flash Point(°C)
98°C
Boil Point(°C)
108°C/15mmHg
Molecular Weight
124.180 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
124.1 Da
Monoisotopic Mass
124.1 Da
Topological Polar Surface Area
15.600 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
140.000
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
Citations of This Product
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34 Citations
H2406412