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114788-05-5

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Basic Information
CAS No.: 114788-05-5
Name: (S)-4,5,6,7-Tetrahydro-3-phenylmethyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride
Molecular Structure:
Molecular Structure of 114788-05-5 ((S)-4,5,6,7-Tetrahydro-3-phenylmethyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride)
Formula: C14H15N3O2.2(HCl)
Molecular Weight: 330.214
Synonyms: (S)-4,5,6,7-Tetrahydro-3-phenylmethyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride;
Melting Point: 130-135 °C
PSA: 67.15000
LogP: 2.96310
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Specification

The CAS register number of (S)-4,5,6,7-Tetrahydro-3-phenylmethyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride is 114788-05-5. It also can be called as 3H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-3-(phenylmethyl)-, dihydrochloride, (S)- (9CI) and the systematic name about this chemical is 3H-imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-3-(phenylmethyl)-, (6S)-, hydrochloride (1:2). The molecular formula about this chemical is C14H15N3O2.2(HCl) and molecular weight is 330.21.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)Cn2cnc3c2CN[C@@H](C3)C(=O)O.Cl.Cl
(2)InChI: InChI=1/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
(3)InChIKey: DFXAZXLREDQKKH-LTCKWSDVBL
(4)Std. 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
(5)Std. InChIKey: DFXAZXLREDQKKH-LTCKWSDVSA-N