889948-48-5
[1-(2-AMINO-PHENYL)-PYRROLIDIN-3-YLMETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[1-(2-AMINO-PHENYL)-PYRROLIDIN-3-YLMETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[1-(2-AMINO-PHENYL)-PYRROLIDIN-3-YLMETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06657301
【English Synonyms】
【Formula】
C16 H25 N3 O2
【MolWeight】
291.392
【Inchi】
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-10-12-8-9-19(11-12)14-7-5-4-6-13(14)17/h4-7,12H,8-11,17H2,1-3H3,(H,18,20)
【InChIKey】
InChIKey=ZVFHYEUUFUBOFK-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCC1CCN(C1)c2ccccc2N
【MOL File】
[1-(2-AMINO-PHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[1-(2-AMINO-PHENYL)-PYRROLIDIN-3-YLMETHYL]-CARBAMIC ACID TERT-BUTYL ESTER.cml