2486-99-9
3-HYDROXY-8-PROPYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE
Name3-HYDROXY-8-PROPYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE
1Identification
【Name】
3-HYDROXY-8-PROPYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE
【CAS】
【MDL】
MFCD01677497
【English Synonyms】
【Formula】
C25 H32 N O3 . Br
【MolWeight】
474.436
【Inchi】
InChI=1S/C25H32NO3.BrH/c1-3-16-26(2)21-14-15-22(26)18-23(17-21)29-24(27)25(28,19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,21-23,28H,3,14-18H2,1-2H3;1H/q+1;/p-1/t21-,22+,23?,26?;
【InChIKey】
InChIKey=TXLAKDIEDKPHEF-IOLGRLAGSA-M
【SMILES】
CCC[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(c3ccccc3)(c4ccccc4)O)C.[Br-]
【MOL File】
3-HYDROXY-8-PROPYL-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-8-PROPYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE.cml