80997-83-7
(+/-)-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL BENZOATE SALT
Name(+/-)-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL BENZOATE SALT
FormulaC9 H13 N O . C7 H6 O2
1Identification
【Name】
(+/-)-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL BENZOATE SALT
【CAS】
【MDL】
MFCD00012625
【English Synonyms】
【Formula】
C9 H13 N O . C7 H6 O2
【MolWeight】
273.33
【Inchi】
InChI=1S/C9H13NO.C7H6O2/c1-10-7-9(11)8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-6,9-11H,7H2,1H3;1-5H,(H,8,9)
【InChIKey】
InChIKey=WZUAODKTEPQILD-UHFFFAOYSA-N
【SMILES】
CNCC(c1ccccc1)O.c1ccc(cc1)C(=O)O
【MOL File】
(+/-)-ALPHA-(METHYLA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(+/-)-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL BENZOATE SALT.cml