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Home Other Building Blocks 1-piperazinepropanamine, 4-phenyl-

1-piperazinepropanamine, 4-phenyl-

CAS No.:
20529-19-5
Catalog Number:
AG0029Z1
Molecular Formula:
C13H21N3
Molecular Weight:
219.3259
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Product Description
Catalog Number:
AG0029Z1
Chemical Name:
1-piperazinepropanamine, 4-phenyl-
CAS Number:
20529-19-5
Molecular Formula:
C13H21N3
Molecular Weight:
219.3259
MDL Number:
MFCD06007709
IUPAC Name:
3-(4-phenylpiperazin-1-yl)propan-1-amine
InChI:
InChI=1S/C13H21N3/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,14H2
InChI Key:
KNLCRNWJXCLJHQ-UHFFFAOYSA-N
SMILES:
NCCCN1CCN(CC1)c1ccccc1
NSC Number:
93277
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.174g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.332g/mol
Monoisotopic Mass:
219.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties