142469-80-5
2-PYRROLIDINEMETHANAMINE, N-METHYL-1-PHENYL-N-(2-PHENYLETHYL)-, (-)-, (E)-2-BUTENEDIOATE (1:1)
Name2-PYRROLIDINEMETHANAMINE, N-METHYL-1-PHENYL-N-(2-PHENYLETHYL)-, (-)-, (E)-2-BUTENEDIOATE (1:1)
FormulaC20 H26 N2 . C4 H4 O4
1Identification
【Name】
2-PYRROLIDINEMETHANAMINE, N-METHYL-1-PHENYL-N-(2-PHENYLETHYL)-, (-)-, (E)-2-BUTENEDIOATE (1:1)
【CAS】
【MDL】
MFCD01759340
【English Synonyms】
【Formula】
C20 H26 N2 . C4 H4 O4
【MolWeight】
410.511
【Inchi】
InChI=1S/C20H26N2.C4H4O4/c1-21(16-14-18-9-4-2-5-10-18)17-20-13-8-15-22(20)19-11-6-3-7-12-19;5-3(6)1-2-4(7)8/h2-7,9-12,20H,8,13-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
【InChIKey】
InChIKey=MYGOVTYIBXKKEY-WLHGVMLRSA-N
【SMILES】
CN(CCc1ccccc1)CC2CCCN2c3ccccc3.C(=C/C(=O)O)\C(=O)O
【MOL File】
2-PYRROLIDINEMETHANA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PYRROLIDINEMETHANAMINE, N-METHYL-1-PHENYL-N-(2-PHENYLETHYL)-, (-)-, (E)-2-BUTENEDIOATE (1:1).cml