51376-18-2
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH P-TOLUENESULFONIC ACID (1:1)
Name
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH P-TOLUENESULFONIC ACID (1:1)
Formula
C9 H16 N2 . C7 H8 O3 S
MolWeight
324.443
1Identification
【Name】
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH P-TOLUENESULFONIC ACID (1:1)
【CAS】
【MDL】
MFCD02093621
【English Synonyms】
【Formula】
C9 H16 N2 . C7 H8 O3 S
【MolWeight】
324.443
【Inchi】
InChI=1S/C9H16N2.C7H8O3S/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H2;2-5H,1H3,(H,8,9,10)
【InChIKey】
InChIKey=VAIAHWBLSPENDF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)O.C1CCC2=NCCCN2CC1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH P-TOLUENESULFONIC ACID (1:1).cml
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