1161787-72-9
TRANS-METHYL 1-BENZYL-4-(2-BROMOPHENYL)PYRROLIDINE-3-CARBOXYLATE
NameTRANS-METHYL 1-BENZYL-4-(2-BROMOPHENYL)PYRROLIDINE-3-CARBOXYLATE
1Identification
【Name】
TRANS-METHYL 1-BENZYL-4-(2-BROMOPHENYL)PYRROLIDINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD13195097
【English Synonyms】
【Formula】
C19 H20 Br N O2
【MolWeight】
374.276
【Inchi】
InChI=1S/C19H20BrNO2/c1-23-19(22)17-13-21(11-14-7-3-2-4-8-14)12-16(17)15-9-5-6-10-18(15)20/h2-10,16-17H,11-13H2,1H3/t16-,17+/m1/s1
【InChIKey】
InChIKey=WQLLDOXEFHWTEO-SJORKVTESA-N
【SMILES】
COC(=O)[C@H]1CN(C[C@@H]1c2ccccc2Br)Cc3ccccc3
【MOL File】
TRANS-METHYL 1-BENZY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-METHYL 1-BENZYL-4-(2-BROMOPHENYL)PYRROLIDINE-3-CARBOXYLATE.cml