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801227-61-2

801227-61-2 | 2-(4-Ethyl-piperazin-1-yl)-phenylamine

CAS No: 801227-61-2 Catalog No: AG0038FK MDL No:MFCD05240215

Product Description

Catalog Number:
AG0038FK
Chemical Name:
2-(4-Ethyl-piperazin-1-yl)-phenylamine
CAS Number:
801227-61-2
Molecular Formula:
C12H19N3
Molecular Weight:
205.2994
MDL Number:
MFCD05240215
IUPAC Name:
2-(4-ethylpiperazin-1-yl)aniline
InChI:
InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13/h3-6H,2,7-10,13H2,1H3
InChI Key:
LADVCVCLTOOIQU-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ccccc1N

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.158g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.305g/mol
Monoisotopic Mass:
205.158g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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