8.18308
(-)-Brucine
for resolution of racemates for synthesis
别名:
(-)-Brucine, 2,3-Dimethoxy strychnine
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关于此项目
经验公式（希尔记法）:
C23H26N2O4
化学文摘社编号:
分子量:
394.46
UNSPSC Code:
12352210
EC Index Number:
206-614-7
NACRES:
NA.22
MDL number:
Quality Level
storage temp.
2-30°C
SMILES string
N21[C@@H]3[C@@]4(C5N(c7c4cc(c(c7)OC)OC)C(=O)CC6OCC=C([C@@H]([C@@H]65)C3)C2)CC1
InChI
1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1
InChI key
RRKTZKIUPZVBMF-PLNGPGDESA-N
mp
175-178 °C
solubility
slightly soluble 3.2 g/L
bulk density
230 kg/m3
Analysis Note
Assay (HClO₄): ≥ 98.0 %
Melting range (lower value): ≥ 173 °C
Melting range (upper value): ≤ 178 °C
Spec. rotation [α²0/D (c=1 in ethanol): -86.0 - -80.0 °
Identity (IR): passes test
Melting range (lower value): ≥ 173 °C
Melting range (upper value): ≤ 178 °C
Spec. rotation [α²0/D (c=1 in ethanol): -86.0 - -80.0 °
Identity (IR): passes test
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Oral - Acute Tox. 2 Inhalation - Aquatic Chronic 3
存储类别
6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
法规信息
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