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79540-46-8 | Piperazinium, 1-(chloromethylene)-4-methyl-, chloride
CAS No: 79540-46-8 Catalog No: AG0051DV MDL No:
Product Description
Catalog Number:
AG0051DV
Chemical Name:
Piperazinium, 1-(chloromethylene)-4-methyl-, chloride
CAS Number:
79540-46-8
Molecular Formula:
C6H12Cl2N2
Molecular Weight:
183.0789
IUPAC Name:
1-(chloromethylidene)-4-methylpiperazin-1-ium;chloride
InChI:
InChI=1S/C6H12ClN2.ClH/c1-8-2-4-9(6-7)5-3-8;/h6H,2-5H2,1H3;1H/q+1;/p-1
InChI Key:
VJJSVPJGLNHSMJ-UHFFFAOYSA-M
SMILES:
ClC=[N+]1CCN(CC1)C.[Cl-]
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.076g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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