126002-30-0
BENZENEETHANAMINE, ALPHA-METHYL-4-(2-(1-PIPERIDINYL)ETHOXY)-, DIHYDROC HLORIDE, HYDRATE (2:4:1)
Name
BENZENEETHANAMINE, ALPHA-METHYL-4-(2-(1-PIPERIDINYL)ETHOXY)-, DIHYDROC HLORIDE, HYDRATE (2:4:1)
Formula
2 C16 H26 N2 O . 4 Cl H . H2 O
MolWeight
688.647
1Identification
【Name】
BENZENEETHANAMINE, ALPHA-METHYL-4-(2-(1-PIPERIDINYL)ETHOXY)-, DIHYDROC HLORIDE, HYDRATE (2:4:1)
【CAS】
【MDL】
MFCD01744941
【English Synonyms】
【Formula】
2 C16 H26 N2 O . 4 Cl H . H2 O
【MolWeight】
688.647
【Inchi】
InChI=1S/2C16H26N2O.4ClH.H2O/c2*1-14(17)13-15-5-7-16(8-6-15)19-12-11-18-9-3-2-4-10-18;;;;;/h2*5-8,14H,2-4,9-13,17H2,1H3;4*1H;1H2
【InChIKey】
InChIKey=NCAQGQXDLHGVNV-UHFFFAOYSA-N
【SMILES】
CC(Cc1ccc(cc1)OCCN2CCCCC2)N.CC(Cc1ccc(cc1)OCCN2CCCCC2)N.O.Cl.Cl.Cl.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F