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Merck

8.22194

(-)-Quinine hydrochloride dihydrate

for synthesis

Synonym(s):

(-)-Quinine hydrochloride dihydrate

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About This Item

Empirical Formula (Hill Notation):
C20H25ClN2O2 · 2H2O
CAS Number:
Molecular Weight:
396.91
MDL number:
UNSPSC Code:
12352107
EC Index Number:
205-001-1
NACRES:
NA.22
Assay:
≥99.0% (acidimetric)
Form:
powder
Quality level:
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SMILES string

Cl.N21[C@@H](C[C@H]([C@H](C2)C=C)CC1)[C@H](O)c3c4c(ncc3)ccc(c4)OC.O.O

InChI

1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14+,19-,20+;;;/m0.../s1

InChI key

MPQKYZPYCSTMEI-FXXIJDEQSA-N

assay

≥99.0% (acidimetric)

form

powder

potency

620 mg/kg LD50, oral (Rat)

pH

6.0 (20 °C, 10 g/L in H2O)

mp

115 °C (decomposition)

transition temp

flash point 122 °C

solubility

62.5 g/L

bulk density

310 kg/m3

storage temp.

2-30°C

Quality Level

Analysis Note

Assay (acidimetric): ≥ 99.0 %
Spec. rotation [α²0/D (calculated on dried substance): -258.0 - -245.0 °
Identity (IR): passes test

pictograms

Exclamation markHealth hazard

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Resp. Sens. 1 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable


Certificates of Analysis (COA)

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