889956-21-2
[-(3-HYDROXYMETHYL-PHENYL)-AZETIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[-(3-HYDROXYMETHYL-PHENYL)-AZETIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[-(3-HYDROXYMETHYL-PHENYL)-AZETIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06657365
【English Synonyms】
【Formula】
C15 H22 N2 O3
【MolWeight】
278.35
【Inchi】
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-12-8-17(9-12)13-6-4-5-11(7-13)10-18/h4-7,12,18H,8-10H2,1-3H3,(H,16,19)
【InChIKey】
InChIKey=PKANTJRDVSOXPM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CN(C1)c2cccc(c2)CO
【MOL File】
[-(3-HYDROXYMETHYL-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[-(3-HYDROXYMETHYL-PHENYL)-AZETIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER.cml