100311-20-4
BENZOIC ACID, 2-BUTOXY-4-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTER
NameBENZOIC ACID, 2-BUTOXY-4-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTER
1Identification
【Name】
BENZOIC ACID, 2-BUTOXY-4-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTER
【CAS】
【MDL】
MFCD01660719
【English Synonyms】
【Formula】
C23 H38 N2 O3
【MolWeight】
390.564
【Inchi】
InChI=1S/C23H38N2O3/c1-3-5-13-24-20-11-12-21(22(19-20)27-17-6-4-2)23(26)28-18-10-16-25-14-8-7-9-15-25/h11-12,19,24H,3-10,13-18H2,1-2H3
【InChIKey】
InChIKey=CFFITRKPHLULBB-UHFFFAOYSA-N
【SMILES】
CCCCNc1ccc(c(c1)OCCCC)C(=O)OCCCN2CCCCC2
【MOL File】
BENZOIC ACID, 2-BUTO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 2-BUTOXY-4-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTER.cml