57671-19-9
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH PHENOL (1:1)
Name1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH PHENOL (1:1)
FormulaC9 H16 N2 . C6 H6 O
1Identification
【Name】
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH PHENOL (1:1)
【CAS】
【MDL】
MFCD02093619
【English Synonyms】
【Formula】
C9 H16 N2 . C6 H6 O
【MolWeight】
246.352
【Inchi】
InChI=1S/C9H16N2.C6H6O/c1-2-5-9-10-6-4-8-11(9)7-3-1;7-6-4-2-1-3-5-6/h1-8H2;1-5,7H
【InChIKey】
InChIKey=MFYNHXMPPRNECN-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)O.C1CCC2=NCCCN2CC1
【MOL File】
1,8-DIAZABICYCLO[5.4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH PHENOL (1:1).cml