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548763-35-5

548763-35-5 | 3-methyl-1-(piperidine-1-carbonyl)-1H-imidazol-3-ium iodide

CAS No: 548763-35-5 Catalog No: AG01EIED MDL No:MFCD10686884

Product Description

Catalog Number:
AG01EIED
Chemical Name:
3-methyl-1-(piperidine-1-carbonyl)-1H-imidazol-3-ium iodide
CAS Number:
548763-35-5
Molecular Formula:
C10H16IN3O
Molecular Weight:
321.1580
MDL Number:
MFCD10686884
IUPAC Name:
(3-methylimidazol-3-ium-1-yl)-piperidin-1-ylmethanone;iodide
InChI:
InChI=1S/C10H16N3O.HI/c1-11-7-8-13(9-11)10(14)12-5-3-2-4-6-12;/h7-9H,2-6H2,1H3;1H/q+1;/p-1
InChI Key:
DYUXQBJBOJUEQQ-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N1CCCCC1.[I-]

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.034g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.162g/mol
Monoisotopic Mass:
321.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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