885275-82-1
1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE
Name1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE
1Identification
【Name】
1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE
【CAS】
【MDL】
MFCD04115166
【English Synonyms】
【Formula】
C16 H24 N2 O5
【MolWeight】
324.375
【Inchi】
InChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-8-5-7-17(9-10-18)13(14(19)20)12-6-4-11-22-12/h4,6,11,13H,5,7-10H2,1-3H3,(H,19,20)
【InChIKey】
InChIKey=OPLSAKPKNAYAOR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCN(CC1)C(c2ccco2)C(=O)O
【MOL File】
1-BOC-4-(CARBOXY-FUR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE.cml