864754-26-7
(2-[1,4]DIAZEPAN-1-YL-1-METHYL-2-OXO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(2-[1,4]DIAZEPAN-1-YL-1-METHYL-2-OXO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(2-[1,4]DIAZEPAN-1-YL-1-METHYL-2-OXO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06657719
【English Synonyms】
【Formula】
C13 H25 N3 O3
【MolWeight】
271.358
【Inchi】
InChI=1S/C13H25N3O3/c1-10(15-12(18)19-13(2,3)4)11(17)16-8-5-6-14-7-9-16/h10,14H,5-9H2,1-4H3,(H,15,18)
【InChIKey】
InChIKey=XGQKYXVXKHPGEW-UHFFFAOYSA-N
【SMILES】
CC(C(=O)N1CCCNCC1)NC(=O)OC(C)(C)C
【MOL File】
(2-[1,4]DIAZEPAN-1-Y….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-[1,4]DIAZEPAN-1-YL-1-METHYL-2-OXO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER.cml