887579-54-6
3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD07785931
【English Synonyms】
【Formula】
C14 H19 Br N2 O2
【MolWeight】
327.22
【Inchi】
InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-8-12(9-17)16-11-6-4-10(15)5-7-11/h4-7,12,16H,8-9H2,1-3H3
【InChIKey】
InChIKey=JTJFAPGRYSESIB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC(C1)Nc2ccc(cc2)Br
【MOL File】
3-(4-BROMO-PHENYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml