Home Imidazoles 1351611-81-8
1351611-81-8,MFCD16652963
Catalog No.:AA01AQAT
1351611-81-8 | 1-(1H-Imidazol-4-ylsulfonyl)piperazine hydrochloride
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Technical Information
Catalog Number:
AA01AQAT
Chemical Name:
1-(1H-Imidazol-4-ylsulfonyl)piperazine hydrochloride
CAS Number:
1351611-81-8
Molecular Formula:
C7H13ClN4O2S
Molecular Weight:
252.7217
MDL Number:
MFCD16652963
IUPAC Name:
1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
InChI:
InChI=1S/C7H12N4O2S.ClH/c12-14(13,7-5-9-6-10-7)11-3-1-8-2-4-11;/h5-6,8H,1-4H2,(H,9,10);1H
InChI Key:
LFHFYQOMTJXFAK-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc[nH]c1)N1CCNCC1.Cl
Properties
Computed Properties
 
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.045g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.717g/mol
Monoisotopic Mass:
252.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1-(1H-imidazol-4-ylsulfonyl)piperazine hydrochloride 
1351611-81-8 
AKOS025980453 
MCULE-1559733590 
VU0494718-1 
L-3375 
F2145-0197 
1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride 
Literature
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