Home Carbonyls 1-(Ethoxycarbonylmethyl)piperazine

1-(Ethoxycarbonylmethyl)piperazine

CAS No.:
40004-08-8
Catalog Number:
AG003Q1W
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$34
- +
25g
97%
In Stock USA
United States
$150
- +
100g
97%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG003Q1W
Chemical Name:
1-(Ethoxycarbonylmethyl)piperazine
CAS Number:
40004-08-8
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
MDL Number:
MFCD00040739
IUPAC Name:
ethyl 2-piperazin-1-ylacetate
InChI:
InChI=1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChI Key:
MTFCXMJOGMHYAE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCNCC1
EC Number:
254-745-3
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy. Nature chemical biology 20061001
Properties