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Homopiperazine

CAS No.:
505-66-8
Catalog Number:
AG003502
Molecular Formula:
C5H12N2
Molecular Weight:
100.1622
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$15
- +
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$85
- +
100g
95%
In Stock USA
United States
$313
- +
500g
95%
In Stock USA
United States
$1438
- +
Product Description
Catalog Number:
AG003502
Chemical Name:
Homopiperazine
CAS Number:
505-66-8
Molecular Formula:
C5H12N2
Molecular Weight:
100.1622
MDL Number:
MFCD00006933
IUPAC Name:
1,4-diazepane
InChI:
InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
InChI Key:
FQUYSHZXSKYCSY-UHFFFAOYSA-N
SMILES:
C1CNCCNC1
EC Number:
208-016-1
UNII:
95CL167W8T
Properties
Complexity:
39.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.1g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
100.165g/mol
Monoisotopic Mass:
100.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
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Co-crystal structures of inhibitors with MRCKβ, a key regulator of tumor cell invasion. PloS one 20110101
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Synthesis of a histamine H(3) receptor antagonist-manipulation of hydroxyproline stereochemistry, desymmetrization of homopiperazine, and nonextractive sodium triacetoxyborohydride reaction workup. The Journal of organic chemistry 20100702
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Properties