136-38-9
(BETA-,4-DIHYDROXYPHENETHYL)METHYLAMMONIUM HYDROGEN [R-(R*,R*)]-TARTRATE
Name
(BETA-,4-DIHYDROXYPHENETHYL)METHYLAMMONIUM HYDROGEN [R-(R*,R*)]-TARTRATE
Formula
2 C9 H13 N O2 . C4 H6 O6
MolWeight
484.499
1Identification
【Name】
(BETA-,4-DIHYDROXYPHENETHYL)METHYLAMMONIUM HYDROGEN [R-(R*,R*)]-TARTRATE
【CAS】
【MDL】
MFCD17019349
【English Synonyms】
【Formula】
2 C9 H13 N O2 . C4 H6 O6
【MolWeight】
484.499
【Inchi】
InChI=1S/2C9H13NO2.C4H6O6/c2*1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2*2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
【InChIKey】
InChIKey=KZZBAIXGUQOHKI-CEAXSRTFSA-N
【SMILES】
CNCC(c1ccc(cc1)O)O.CNCC(c1ccc(cc1)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F