955138-42-8
TRANS-METHYL 4-(BOC-AMINO)-1-(NAPHTHALEN-1-YLMETHYL)PYRROLIDINE-3-CARBOXYLATE
NameTRANS-METHYL 4-(BOC-AMINO)-1-(NAPHTHALEN-1-YLMETHYL)PYRROLIDINE-3-CARBOXYLATE
1Identification
【Name】
TRANS-METHYL 4-(BOC-AMINO)-1-(NAPHTHALEN-1-YLMETHYL)PYRROLIDINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD13195169
【English Synonyms】
【Formula】
C22 H28 N2 O4
【MolWeight】
384.473
【Inchi】
InChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)23-19-14-24(13-18(19)20(25)27-4)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,18-19H,12-14H2,1-4H3,(H,23,26)/t18-,19-/m0/s1
【InChIKey】
InChIKey=JAHPMYXVDFTANM-OALUTQOASA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H]1CN(C[C@@H]1C(=O)OC)Cc2cccc3c2cccc3
【MOL File】
TRANS-METHYL 4-(BOC-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-METHYL 4-(BOC-AMINO)-1-(NAPHTHALEN-1-YLMETHYL)PYRROLIDINE-3-CARBOXYLATE.cml