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Home > Product > Material & Chemicals > Polymer/Macromolecule > 1,8-Diazabicyclo[5.4.0]undec-7-ene,compound with p-toluenesulfonic acid(1:1)

1,8-Diazabicyclo[5.4.0]undec-7-ene,compound with p-toluenesulfonic acid(1:1) | CAS Number: 51376-18-2

Catalog Number
ACM51376182
Product Name
1,8-Diazabicyclo[5.4.0]undec-7-ene,compound with p-toluenesulfonic acid(1:1)
Structure
CAS Number
51376-18-2
EC Number
257-164-3
IUPAC Name
4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium
Synonyms
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH P-TOLUENESULFONIC ACID (1:1);Pyrimido[1,2-a]azepine,2,3,4,6,7,8,9,10-octahydro-,mono(4-methylbenzenesulfonate);2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium (p-tolylsulphonate);1,8-DIAZABICYCLO(5.4.0)
Molecular Weight
324.44
Exact Mass
324.15100
Molecular Formula
C16H24N2O3S
Boiling Point
540.5ºC at 760mmHg
Melting Point
70.9-90.7ºC(lit.)
Flash Point
280.7ºC
Purity
96%
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC2=NCCCN2CC1
InChIKey
VAIAHWBLSPENDF-UHFFFAOYSA-N
H-Bond Donor
1
H-Bond Acceptor
4
Safty Description
26-36
Hazard Statements
Xi
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Tel:1-201-478-8534
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Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA