102612-78-2
1,3-PROPANEDIOL, 3-(4-ALLYL-2-METHOXY-6-(1-PYRROLIDINYLMETHYL)PHENOXY)-
Name1,3-PROPANEDIOL, 3-(4-ALLYL-2-METHOXY-6-(1-PYRROLIDINYLMETHYL)PHENOXY)-
1Identification
【Name】
1,3-PROPANEDIOL, 3-(4-ALLYL-2-METHOXY-6-(1-PYRROLIDINYLMETHYL)PHENOXY)-
【CAS】
【MDL】
MFCD01698203
【English Synonyms】
【Formula】
C18 H27 N O4
【MolWeight】
321.414
【Inchi】
InChI=1S/C18H27NO4/c1-3-6-14-11-15(13-19-8-4-5-9-19)18(16(12-14)22-2)23-17(21)7-10-20/h3,11-12,17,20-21H,1,4-10,13H2,2H3
【InChIKey】
InChIKey=WEFSKSMUNSBUFU-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC(CCO)O)CN2CCCC2)CC=C
【MOL File】
1,3-PROPANEDIOL, 3-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-PROPANEDIOL, 3-(4-ALLYL-2-METHOXY-6-(1-PYRROLIDINYLMETHYL)PHENOXY)-.cml