141269-99-0
(S)-4-[2-HYDROXY-3-PHENOXYPROPYLAMINOETHOXY]PHENOXYACETIC ACID HYDROCHLORIDE
Name(S)-4-[2-HYDROXY-3-PHENOXYPROPYLAMINOETHOXY]PHENOXYACETIC ACID HYDROCHLORIDE
FormulaC19 H23 N O6 . Cl H
1Identification
【Name】
(S)-4-[2-HYDROXY-3-PHENOXYPROPYLAMINOETHOXY]PHENOXYACETIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD00673960
【English Synonyms】
【Formula】
C19 H23 N O6 . Cl H
【MolWeight】
397.853
【Inchi】
InChI=1S/C19H23NO6.ClH/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23;/h1-9,15,20-21H,10-14H2,(H,22,23);1H/t15-;/m0./s1
【InChIKey】
InChIKey=ISFZQNYGEYAUCR-RSAXXLAASA-N
【SMILES】
c1ccc(cc1)OC[C@H](CNCCOc2ccc(cc2)OCC(=O)O)O.Cl
【MOL File】
(S)-4-[2-HYDROXY-3-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-4-[2-HYDROXY-3-PHENOXYPROPYLAMINOETHOXY]PHENOXYACETIC ACID HYDROCHLORIDE.cml