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129825-30-5 | Piperazinium, 1-butyl-1-methyl-, iodide (1:1)
CAS No: 129825-30-5 Catalog No: AG000TQQ MDL No:
Product Description
Catalog Number:
AG000TQQ
Chemical Name:
Piperazinium, 1-butyl-1-methyl-, iodide (1:1)
CAS Number:
129825-30-5
Molecular Formula:
C9H21IN2
Molecular Weight:
284.1809
IUPAC Name:
1-butyl-1-methylpiperazin-1-ium;iodide
InChI:
InChI=1S/C9H21N2.HI/c1-3-4-7-11(2)8-5-10-6-9-11;/h10H,3-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
MOAVPDDUSXCAIL-UHFFFAOYSA-M
SMILES:
CCCC[N+]1(C)CCNCC1.[I-]
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.185g/mol
Monoisotopic Mass:
284.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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