887590-92-3
6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06656756
【English Synonyms】
【Formula】
C16 H22 N4 O2
【MolWeight】
302.376
【Inchi】
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-14-9-11(17)5-6-12(14)13(18-20)10-19-7-4-8-19/h5-6,9H,4,7-8,10,17H2,1-3H3
【InChIKey】
InChIKey=VQFWWFZWWFTKIV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2cc(ccc2c(n1)CN3CCC3)N
【MOL File】
6-AMINO-3-AZETIDIN-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml