23026-51-9
1-PYRROLIDINEPROPANOL, 3-(O-METHOXYPHENOXY)-, METHYLCARBAMATE (ESTER), OXALATE (1:1)
Name1-PYRROLIDINEPROPANOL, 3-(O-METHOXYPHENOXY)-, METHYLCARBAMATE (ESTER), OXALATE (1:1)
FormulaC16 H24 N2 O4 . C2 H2 O4
1Identification
【Name】
1-PYRROLIDINEPROPANOL, 3-(O-METHOXYPHENOXY)-, METHYLCARBAMATE (ESTER), OXALATE (1:1)
【CAS】
【MDL】
MFCD01687747
【English Synonyms】
【Formula】
C16 H24 N2 O4 . C2 H2 O4
【MolWeight】
398.409
【Inchi】
InChI=1S/C16H24N2O4.C2H2O4/c1-17-16(19)21-11-5-9-18-10-8-13(12-18)22-15-7-4-3-6-14(15)20-2;3-1(4)2(5)6/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
【InChIKey】
InChIKey=HRRYCVNTCZSGQH-UHFFFAOYSA-N
【SMILES】
CNC(=O)OCCCN1CCC(C1)Oc2ccccc2OC.C(=O)(C(=O)O)O
【MOL File】
1-PYRROLIDINEPROPANO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PYRROLIDINEPROPANOL, 3-(O-METHOXYPHENOXY)-, METHYLCARBAMATE (ESTER), OXALATE (1:1).cml