75489-29-1
1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE, 8-(1-PYRROLIDINYL)
Name1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE, 8-(1-PYRROLIDINYL)
1Identification
【Name】
1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE, 8-(1-PYRROLIDINYL)
【CAS】
【MDL】
MFCD12064517
【English Synonyms】
【Formula】
C13 H20 N2 O2
【MolWeight】
236.313
【Inchi】
InChI=1S/C13H20N2O2/c14-11-12(15-7-1-2-8-15)3-5-13(6-4-12)16-9-10-17-13/h1-10H2
【InChIKey】
InChIKey=PBAVRHZEIQSWLN-UHFFFAOYSA-N
【SMILES】
C1CCN(C1)C2(CCC3(CC2)OCCO3)C#N
【MOL File】
1,4-DIOXASPIRO[4.5]D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE, 8-(1-PYRROLIDINYL).cml