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Home Carboxys Benzyl 1-piperazinecarboxylate

Benzyl 1-piperazinecarboxylate

CAS No.:
31166-44-6
Catalog Number:
AG0034I7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$8
- +
5g
95%
In Stock USA
United States
$10
- +
25g
95%
In Stock USA
United States
$28
- +
Product Description
Catalog Number:
AG0034I7
Chemical Name:
Benzyl 1-piperazinecarboxylate
CAS Number:
31166-44-6
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD00274317
IUPAC Name:
benzyl piperazine-1-carboxylate
InChI:
InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChI Key:
CTOUWUYDDUSBQE-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)OCc1ccccc1
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Small molecule inhibitors reveal Niemann-Pick C1 is essential for Ebola virus infection. Nature 20110915
Properties