31031-74-0
AMINO-PHENYL-ACETIC ACID 3-METHYL-BUTYL ESTER, HYDROCHLORIDE
NameAMINO-PHENYL-ACETIC ACID 3-METHYL-BUTYL ESTER, HYDROCHLORIDE
FormulaC13 H19 N O2 . Cl H
1Identification
【Name】
AMINO-PHENYL-ACETIC ACID 3-METHYL-BUTYL ESTER, HYDROCHLORIDE
【CAS】
【MDL】
MFCD00050708
【English Synonyms】
【Formula】
C13 H19 N O2 . Cl H
【MolWeight】
257.759
【Inchi】
InChI=1S/C13H19NO2.ClH/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3;1H
【InChIKey】
InChIKey=PPBQUBHHPSGLBN-UHFFFAOYSA-N
【SMILES】
CC(C)CCOC(=O)C(c1ccccc1)N.Cl
【MOL File】
AMINO-PHENYL-ACETIC ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AMINO-PHENYL-ACETIC ACID 3-METHYL-BUTYL ESTER, HYDROCHLORIDE.cml