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102571-20-0 | Ethanaminium, N,N-diethyl-N-methyl-2-[5-methyl-2-(1-methylethyl)phenoxy]-, iodide (1:1)
CAS No: 102571-20-0 Catalog No: AG0007RY MDL No:
Product Description
Catalog Number:
AG0007RY
Chemical Name:
Ethanaminium, N,N-diethyl-N-methyl-2-[5-methyl-2-(1-methylethyl)phenoxy]-, iodide (1:1)
CAS Number:
102571-20-0
Molecular Formula:
C17H30INO
Molecular Weight:
391.3307
IUPAC Name:
diethyl-methyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium;iodide
InChI:
InChI=1S/C17H30NO.HI/c1-7-18(6,8-2)11-12-19-17-13-15(5)9-10-16(17)14(3)4;/h9-10,13-14H,7-8,11-12H2,1-6H3;1H/q+1;/p-1
InChI Key:
BGBASGWBMOITHT-UHFFFAOYSA-M
SMILES:
CC[N+](CCOc1cc(C)ccc1C(C)C)(CC)C.[I-]
NSC Number:
170429
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.337g/mol
Monoisotopic Mass:
391.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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