510772-73-3
BENZOIC ACID, 3-AMINO-5-BORONO-, 1-[2-(DIMETHYLAMINO)ETHYL] ESTER
NameBENZOIC ACID, 3-AMINO-5-BORONO-, 1-[2-(DIMETHYLAMINO)ETHYL] ESTER
1Identification
【Name】
BENZOIC ACID, 3-AMINO-5-BORONO-, 1-[2-(DIMETHYLAMINO)ETHYL] ESTER
【CAS】
【MDL】
MFCD22571900
【English Synonyms】
【Formula】
C11 H17 B N2 O4
【MolWeight】
252.076
【Inchi】
InChI=1S/C11H17BN2O4/c1-14(2)3-4-18-11(15)8-5-9(12(16)17)7-10(13)6-8/h5-7,16-17H,3-4,13H2,1-2H3
【InChIKey】
InChIKey=DBEYUBZFAIVPMJ-UHFFFAOYSA-N
【SMILES】
B(c1cc(cc(c1)N)C(=O)OCCN(C)C)(O)O
【MOL File】
BENZOIC ACID, 3-AMIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 3-AMINO-5-BORONO-, 1-[2-(DIMETHYLAMINO)ETHYL] ESTER.cml