Home Nitros 1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperazine hydrochloride

1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperazine hydrochloride

CAS No.:
1803597-09-2
Catalog Number:
AG019M4C
Molecular Formula:
C8H14ClN5O2
Molecular Weight:
247.6821
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Product Description
Catalog Number:
AG019M4C
Chemical Name:
1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperazine hydrochloride
CAS Number:
1803597-09-2
Molecular Formula:
C8H14ClN5O2
Molecular Weight:
247.6821
MDL Number:
MFCD28145654
IUPAC Name:
1-(3-methyl-5-nitroimidazol-4-yl)piperazine;hydrochloride
InChI:
InChI=1S/C8H13N5O2.ClH/c1-11-6-10-7(13(14)15)8(11)12-4-2-9-3-5-12;/h6,9H,2-5H2,1H3;1H
InChI Key:
YCRMPQSPABUMSL-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1N1CCNCC1)[N+](=O)[O-].Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.683g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties