69516-03-6
(S)-N-(2-ETHYL-6-METHYLPHENYL)ALANINE METHYL ESTER
Name(S)-N-(2-ETHYL-6-METHYLPHENYL)ALANINE METHYL ESTER
1Identification
【Name】
(S)-N-(2-ETHYL-6-METHYLPHENYL)ALANINE METHYL ESTER
【CAS】
【MDL】
MFCD16620183
【English Synonyms】
【Formula】
C13 H19 N O2
【MolWeight】
221.298
【Inchi】
InChI=1S/C13H19NO2/c1-5-11-8-6-7-9(2)12(11)14-10(3)13(15)16-4/h6-8,10,14H,5H2,1-4H3/t10-/m0/s1
【InChIKey】
InChIKey=LRBSXVUHGCCJDT-JTQLQIEISA-N
【SMILES】
CCc1cccc(c1N[C@@H](C)C(=O)OC)C
【MOL File】
(S)-N-(2-ETHYL-6-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-N-(2-ETHYL-6-METHYLPHENYL)ALANINE METHYL ESTER.cml