101952-75-4
NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-4-(2-METHYLPIPERIDINO)-, M ETHYL ESTER, HYDROCHLORIDE, HYDRATE
NameNICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-4-(2-METHYLPIPERIDINO)-, M ETHYL ESTER, HYDROCHLORIDE, HYDRATE
FormulaC14 H24 N2 O2 . Cl H . H2 O
1Identification
【Name】
NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-4-(2-METHYLPIPERIDINO)-, M ETHYL ESTER, HYDROCHLORIDE, HYDRATE
【CAS】
【MDL】
MFCD01711710
【English Synonyms】
【Formula】
C14 H24 N2 O2 . Cl H . H2 O
【MolWeight】
306.831
【Inchi】
InChI=1S/C14H24N2O2.ClH.H2O/c1-11-6-4-5-8-16(11)13-7-9-15(2)10-12(13)14(17)18-3;;/h11H,4-10H2,1-3H3;1H;1H2
【InChIKey】
InChIKey=MPDQBDYEJKEKQU-UHFFFAOYSA-N
【SMILES】
CC1CCCCN1C2=C(CN(CC2)C)C(=O)OC.O.Cl
【MOL File】
NICOTINIC ACID, 1,2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-4-(2-METHYLPIPERIDINO)-, M ETHYL ESTER, HYDROCHLORIDE, HYDRATE.cml