570424-04-3
BENZYL 3-(1H-TETRAZOL-5-YL)PYRROLIDINE-1-CARBOXYLATE
NameBENZYL 3-(1H-TETRAZOL-5-YL)PYRROLIDINE-1-CARBOXYLATE
1Identification
【Name】
BENZYL 3-(1H-TETRAZOL-5-YL)PYRROLIDINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD20484115
【English Synonyms】
【Formula】
C13 H15 N5 O2
【MolWeight】
273.294
【Inchi】
InChI=1S/C13H15N5O2/c19-13(20-9-10-4-2-1-3-5-10)18-7-6-11(8-18)12-14-16-17-15-12/h1-5,11H,6-9H2,(H,14,15,16,17)
【InChIKey】
InChIKey=ILJATBGREHFOCC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)COC(=O)N2CCC(C2)c3[nH]nnn3
【MOL File】
BENZYL 3-(1H-TETRAZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 3-(1H-TETRAZOL-5-YL)PYRROLIDINE-1-CARBOXYLATE.cml