90102-79-7
DL-2-ACETAMIDO-6-(BOC-AMINO)-4-HEXYNOIC ACID DCHA
NameDL-2-ACETAMIDO-6-(BOC-AMINO)-4-HEXYNOIC ACID DCHA
FormulaC13 H20 N2 O5 . C12 H23 N
1Identification
【Name】
DL-2-ACETAMIDO-6-(BOC-AMINO)-4-HEXYNOIC ACID DCHA
【CAS】
【MDL】
MFCD00236749
【English Synonyms】
【Formula】
C13 H20 N2 O5 . C12 H23 N
【MolWeight】
465.631
【Inchi】
InChI=1S/C13H20N2O5.C12H23N/c1-9(16)15-10(11(17)18)7-5-6-8-14-12(19)20-13(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h10H,7-8H2,1-4H3,(H,14,19)(H,15,16)(H,17,18);11-13H,1-10H2
【InChIKey】
InChIKey=LPTMHHUXZJYCMC-UHFFFAOYSA-N
【SMILES】
CC(=O)NC(CC#CCNC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2
【MOL File】
DL-2-ACETAMIDO-6-(BO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
DL-2-ACETAMIDO-6-(BOC-AMINO)-4-HEXYNOIC ACID DCHA.cml