261896-31-5
TRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(2-METHYLPROPYL)-1-(PHENYLMETHYL), ETHYL ESTER
NameTRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(2-METHYLPROPYL)-1-(PHENYLMETHYL), ETHYL ESTER
1Identification
【Name】
TRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(2-METHYLPROPYL)-1-(PHENYLMETHYL), ETHYL ESTER
【CAS】
【MDL】
MFCD13191507
【English Synonyms】
【Formula】
C18 H27 N O2
【MolWeight】
289.416
【Inchi】
InChI=1S/C18H27NO2/c1-4-21-18(20)17-13-19(12-16(17)10-14(2)3)11-15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3/t16-,17-/m0/s1
【InChIKey】
InChIKey=HLSHZFREJKKUQG-IRXDYDNUSA-N
【SMILES】
CCOC(=O)[C@H]1CN(C[C@@H]1CC(C)C)Cc2ccccc2
【MOL File】
TRANS-3-PYRROLIDINEC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-3-PYRROLIDINECARBOXYLIC ACID, 4-(2-METHYLPROPYL)-1-(PHENYLMETHYL), ETHYL ESTER.cml