916213-93-9
TERT-BUTYL (3-CYANOBENZYL)CARBAMATE
NameTERT-BUTYL (3-CYANOBENZYL)CARBAMATE
1Identification
【Name】
TERT-BUTYL (3-CYANOBENZYL)CARBAMATE
【CAS】
【MDL】
MFCD14635695
【English Synonyms】
【Formula】
C13 H16 N2 O2
【MolWeight】
232.281
【Inchi】
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h4-7H,9H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=NPPAYBVYRFLZMY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCc1cccc(c1)C#N
【MOL File】
TERT-BUTYL (3-CYANOB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL (3-CYANOBENZYL)CARBAMATE.cml