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1025737-67-0 | {[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}trimethylazanium iodide
CAS No: 1025737-67-0 Catalog No: AG019OJR MDL No:MFCD07339030
Product Description
Catalog Number:
AG019OJR
Chemical Name:
{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}trimethylazanium iodide
CAS Number:
1025737-67-0
Molecular Formula:
C17H25IN2
Molecular Weight:
384.2983
MDL Number:
MFCD07339030
IUPAC Name:
[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl-trimethylazanium;iodide
InChI:
InChI=1S/C17H25N2.HI/c1-13-7-9-17(10-8-13)18-14(2)11-16(15(18)3)12-19(4,5)6;/h7-11H,12H2,1-6H3;1H/q+1;/p-1
InChI Key:
ZYRGHBANRQVLFZ-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)n1c(C)cc(c1C)C[N+](C)(C)C.[I-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.305g/mol
Monoisotopic Mass:
384.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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