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113613-99-3 | Piperazinium, 1-ethenyl-1-[2-(1-piperazinyl)ethyl]-, chloride (1:1)
CAS No: 113613-99-3 Catalog No: AG00095I MDL No:
Product Description
Catalog Number:
AG00095I
Chemical Name:
Piperazinium, 1-ethenyl-1-[2-(1-piperazinyl)ethyl]-, chloride (1:1)
CAS Number:
113613-99-3
Molecular Formula:
C12H25ClN4
Molecular Weight:
260.8067
IUPAC Name:
1-ethenyl-1-(2-piperazin-1-ylethyl)piperazin-1-ium;chloride
InChI:
InChI=1S/C12H25N4.ClH/c1-2-16(10-5-14-6-11-16)12-9-15-7-3-13-4-8-15;/h2,13-14H,1,3-12H2;1H/q+1;/p-1
InChI Key:
FEVSCJVTDUODFS-UHFFFAOYSA-M
SMILES:
C=C[N+]1(CCNCC1)CCN1CCNCC1.[Cl-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.177g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.81g/mol
Monoisotopic Mass:
260.177g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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