114788-05-5
(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DIHYDROCHLORIDE
Name(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DIHYDROCHLORIDE
FormulaC14 H15 N3 O2 . 2 Cl H
1Identification
【Name】
(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD09746191
【English Synonyms】
【Formula】
C14 H15 N3 O2 . 2 Cl H
【MolWeight】
330.213
【Inchi】
InChI=1S/C14H15N3O2.2ClH/c18-14(19)12-6-11-13(7-15-12)17(9-16-11)8-10-4-2-1-3-5-10;;/h1-5,9,12,15H,6-8H2,(H,18,19);2*1H/t12-;;/m0../s1
【InChIKey】
InChIKey=DFXAZXLREDQKKH-LTCKWSDVSA-N
【SMILES】
c1ccc(cc1)Cn2cnc3c2CN[C@@H](C3)C(=O)O.Cl.Cl
【MOL File】
(S)-4,5,6,7-TETRAHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID DIHYDROCHLORIDE.cml