5959-44-4
BENZOIC ACID 2-[(DIMETHYLAMINO)METHYL]-1-ETHYLCYCLOHEXYL ESTER
NameBENZOIC ACID 2-[(DIMETHYLAMINO)METHYL]-1-ETHYLCYCLOHEXYL ESTER
1Identification
【Name】
BENZOIC ACID 2-[(DIMETHYLAMINO)METHYL]-1-ETHYLCYCLOHEXYL ESTER
【CAS】
【MDL】
MFCD01734892
【English Synonyms】
【Formula】
C18 H27 N O2
【MolWeight】
289.416
【Inchi】
InChI=1S/C18H27NO2/c1-4-18(13-9-8-12-16(18)14-19(2)3)21-17(20)15-10-6-5-7-11-15/h5-7,10-11,16H,4,8-9,12-14H2,1-3H3
【InChIKey】
InChIKey=XMIJRFQYCUBWFZ-UHFFFAOYSA-N
【SMILES】
CCC1(CCCCC1CN(C)C)OC(=O)c2ccccc2
【MOL File】
BENZOIC ACID 2-[(DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID 2-[(DIMETHYLAMINO)METHYL]-1-ETHYLCYCLOHEXYL ESTER.cml