939986-69-3
3-HYDROXYMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3'-CARBONITRILE
Name3-HYDROXYMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3'-CARBONITRILE
1Identification
【Name】
3-HYDROXYMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3'-CARBONITRILE
【CAS】
【MDL】
MFCD09607810
【English Synonyms】
【Formula】
C12 H15 N3 O
【MolWeight】
217.27
【Inchi】
InChI=1S/C12H15N3O/c13-7-11-4-1-5-14-12(11)15-6-2-3-10(8-15)9-16/h1,4-5,10,16H,2-3,6,8-9H2
【InChIKey】
InChIKey=RTDJVEPGGVSDRQ-UHFFFAOYSA-N
【SMILES】
c1cc(c(nc1)N2CCCC(C2)CO)C#N
【MOL File】
3-HYDROXYMETHYL-3,4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXYMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3'-CARBONITRILE.cml