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经验公式(希尔记法):
C5H11NO · HCl
化学文摘社编号:
分子量:
137.61
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
98%
Form:
solid
InChI
1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H/t5-;/m1./s1
SMILES string
Cl.O[C@@H]1CCCNC1
InChI key
VLECDMDGMKPUSK-NUBCRITNSA-N
assay
98%
form
solid
optical activity
[α]20/D +8.6°, c = 2 in methanol
mp
195-196 °C (lit.)
functional group
hydroxyl
Application
具有药用价值的 (R)-(+)-3-吡咯烷基三苯乙醇酸酯的原料。
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
M B Skaddan et al.
Journal of medicinal chemistry, 43(23), 4552-4562 (2000-11-23)
A series of 31 compounds based on the piperidyl or pyrrolidyl benzilate scaffold were prepared from methyl benzilate and 4-piperidinol, (R)-(+)-3-piperidinol, or (R)-(+)-3-pyrrolidinol. Amine substituents included alkyl and aralkyl groups. In vitro K(i) values ranged from 0.05 nM to >100
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