Home Other Building Blocks 1-Piperazineacetic acid, 4-(phenylmethyl)-, hydrazide

1-Piperazineacetic acid, 4-(phenylmethyl)-, hydrazide

CAS No.:
24632-70-0
Catalog Number:
AG002OVU
Molecular Formula:
C13H20N4O
Molecular Weight:
248.3241
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Product Description
Catalog Number:
AG002OVU
Chemical Name:
1-Piperazineacetic acid, 4-(phenylmethyl)-, hydrazide
CAS Number:
24632-70-0
Molecular Formula:
C13H20N4O
Molecular Weight:
248.3241
MDL Number:
MFCD07364291
IUPAC Name:
2-(4-benzylpiperazin-1-yl)acetohydrazide
InChI:
InChI=1S/C13H20N4O/c14-15-13(18)11-17-8-6-16(7-9-17)10-12-4-2-1-3-5-12/h1-5H,6-11,14H2,(H,15,18)
InChI Key:
HPORNZWVEBQIOT-UHFFFAOYSA-N
SMILES:
NNC(=O)CN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.164g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.33g/mol
Monoisotopic Mass:
248.164g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy. Nature chemical biology 20061001
Properties