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5400-94-2 | N-Benzyl-N,N-diethylethanaminium iodide
CAS No: 5400-94-2 Catalog No: AG003O5A MDL No:MFCD00043178
Product Description
Catalog Number:
AG003O5A
Chemical Name:
N-Benzyl-N,N-diethylethanaminium iodide
CAS Number:
5400-94-2
Molecular Formula:
C13H22IN
Molecular Weight:
319.2250
MDL Number:
MFCD00043178
IUPAC Name:
benzyl(triethyl)azanium;iodide
InChI:
InChI=1S/C13H22N.HI/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChI Key:
JWLJBISFJGEYMT-UHFFFAOYSA-M
SMILES:
CC[N+](Cc1ccccc1)(CC)CC.[I-]
EC Number:
226-446-8
NSC Number:
10409
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.23g/mol
Monoisotopic Mass:
319.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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