87168-44-3
1-PYRROLIDINEPROPANOIC ACID, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTE R, DIHYDROCHLORIDE, HYDRATE, EXO-(2:4:1)
Name
1-PYRROLIDINEPROPANOIC ACID, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTE R, DIHYDROCHLORIDE, HYDRATE, EXO-(2:4:1)
Formula
2 C15 H26 N2 O2 . 4 Cl H . H2 O
MolWeight
696.623
1Identification
【Name】
1-PYRROLIDINEPROPANOIC ACID, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTE R, DIHYDROCHLORIDE, HYDRATE, EXO-(2:4:1)
【CAS】
【MDL】
MFCD01749809
【English Synonyms】
【Formula】
2 C15 H26 N2 O2 . 4 Cl H . H2 O
【MolWeight】
696.623
【Inchi】
InChI=1S/2C15H26N2O2.4ClH.H2O/c2*1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17;;;;;/h2*12-14H,2-11H2,1H3;4*1H;1H2/t2*12-,13+,14-;;;;;
【InChIKey】
InChIKey=QLSVVDAYXZJOEL-RPODICPASA-N
【SMILES】
CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)CCN3CCCC3.CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)CCN3CCCC3.O.Cl.Cl.Cl.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F