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Home > Nitro Compounds > 1158439-97-4
1158439-97-4 | 3-Methyl-1-(4-nitrophenyl)piperazine hydrochloride
CAS No: 1158439-97-4 Catalog No: AG01ASAW MDL No:MFCD00545967
Product Description
Catalog Number:
AG01ASAW
Chemical Name:
3-Methyl-1-(4-nitrophenyl)piperazine hydrochloride
CAS Number:
1158439-97-4
Molecular Formula:
C11H16ClN3O2
Molecular Weight:
257.7166
MDL Number:
MFCD00545967
IUPAC Name:
3-methyl-1-(4-nitrophenyl)piperazine;hydrochloride
InChI:
InChI=1S/C11H15N3O2.ClH/c1-9-8-13(7-6-12-9)10-2-4-11(5-3-10)14(15)16;/h2-5,9,12H,6-8H2,1H3;1H
InChI Key:
FCABYDMTKDIPDM-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1ccc(cc1)[N+](=O)[O-].Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.718g/mol
Monoisotopic Mass:
257.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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