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About This Item
Empirical Formula (Hill Notation):
C5H11NO · HCl
CAS Number:
Molecular Weight:
137.61
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
form
solid
optical activity
[α]20/D +8.6°, c = 2 in methanol
mp
195-196 °C (lit.)
SMILES string
Cl.O[C@@H]1CCCNC1
InChI
1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H/t5-;/m1./s1
InChI key
VLECDMDGMKPUSK-NUBCRITNSA-N
Application
Starter for (R)-(+)-3-pyrrolidyl benzilates with pharmaceutical applications.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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