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54828-80-7 | trimethyl[(1-methyl-1H-pyrrol-2-yl)methyl]azanium iodide
CAS No: 54828-80-7 Catalog No: AG019OE6 MDL No:MFCD07310901
Product Description
Catalog Number:
AG019OE6
Chemical Name:
trimethyl[(1-methyl-1H-pyrrol-2-yl)methyl]azanium iodide
CAS Number:
54828-80-7
Molecular Formula:
C9H17IN2
Molecular Weight:
280.1491
MDL Number:
MFCD07310901
IUPAC Name:
trimethyl-[(1-methylpyrrol-2-yl)methyl]azanium;iodide
InChI:
InChI=1S/C9H17N2.HI/c1-10-7-5-6-9(10)8-11(2,3)4;/h5-7H,8H2,1-4H3;1H/q+1;/p-1
InChI Key:
XFNZPXDBHAVOCN-UHFFFAOYSA-M
SMILES:
Cn1cccc1C[N+](C)(C)C.[I-]
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.153g/mol
Monoisotopic Mass:
280.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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