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67508-20-7 | Pyridinium, 4-[[(1,1-dimethylethyl)imino]methyl]-1-methyl-
CAS No: 67508-20-7 Catalog No: AG006G40 MDL No:
Product Description
Catalog Number:
AG006G40
Chemical Name:
Pyridinium, 4-[[(1,1-dimethylethyl)imino]methyl]-1-methyl-
CAS Number:
67508-20-7
Molecular Formula:
C11H17N2+
Molecular Weight:
177.2661
IUPAC Name:
N-tert-butyl-1-(1-methylpyridin-1-ium-4-yl)methanimine
InChI:
InChI=1S/C11H17N2/c1-11(2,3)12-9-10-5-7-13(4)8-6-10/h5-9H,1-4H3/q+1
InChI Key:
VZGXRMDFQMBYFU-UHFFFAOYSA-N
SMILES:
C[n+]1ccc(cc1)C=NC(C)(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.139g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.271g/mol
Monoisotopic Mass:
177.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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