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137044-77-0 | 1-Butanaminium, N-[2-(2-butoxyethoxy)ethyl]-N-butyl-N-methyl-, iodide (1:1)
CAS No: 137044-77-0 Catalog No: AG0012RR MDL No:
Product Description
Catalog Number:
AG0012RR
Chemical Name:
1-Butanaminium, N-[2-(2-butoxyethoxy)ethyl]-N-butyl-N-methyl-, iodide (1:1)
CAS Number:
137044-77-0
Molecular Formula:
C17H38INO2
Molecular Weight:
415.3936
IUPAC Name:
2-(2-butoxyethoxy)ethyl-dibutyl-methylazanium;iodide
InChI:
InChI=1S/C17H38NO2.HI/c1-5-8-11-18(4,12-9-6-2)13-15-20-17-16-19-14-10-7-3;/h5-17H2,1-4H3;1H/q+1;/p-1
InChI Key:
MGOMNNGQUQNKQZ-UHFFFAOYSA-M
SMILES:
CCCCOCCOCC[N+](CCCC)(CCCC)C.[I-]
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.4g/mol
Monoisotopic Mass:
415.195g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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