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114-28-3 | Piperazinium, 1,1-dimethyl-4-phenyl-
CAS No: 114-28-3 Catalog No: AG000A9H MDL No:
Product Description
Catalog Number:
AG000A9H
Chemical Name:
Piperazinium, 1,1-dimethyl-4-phenyl-
CAS Number:
114-28-3
Molecular Formula:
C12H19N2+
Molecular Weight:
191.2927
IUPAC Name:
1,1-dimethyl-4-phenylpiperazin-1-ium
InChI:
InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
InChI Key:
MKGIQRNAGSSHRV-UHFFFAOYSA-N
SMILES:
C[N+]1(C)CCN(CC1)c1ccccc1
UNII:
2FLS86GK2A
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.155g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.298g/mol
Monoisotopic Mass:
191.155g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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