59766-07-3
PIPERAZINE 1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLATE
NamePIPERAZINE 1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLATE
FormulaC7 H12 O6 . C4 H10 N2
1Identification
【Name】
PIPERAZINE 1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD21609093
【English Synonyms】
【Formula】
C7 H12 O6 . C4 H10 N2
【MolWeight】
278.303
【Inchi】
InChI=1S/C7H12O6.C4H10N2/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;1-2-6-4-3-5-1/h3-5,8-10,13H,1-2H2,(H,11,12);5-6H,1-4H2
【InChIKey】
InChIKey=ILELYUFCZWQXGV-UHFFFAOYSA-N
【SMILES】
C1CNCCN1.C1C(C(C(CC1(C(=O)O)O)O)O)O
【MOL File】
PIPERAZINE 1,3,4,5-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIPERAZINE 1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLATE.cml