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144674-97-5 | Ethanaminium, N,N,N-trimethyl-2-[(2-nitrophenyl)amino]-, iodide (1:1)
CAS No: 144674-97-5 Catalog No: AG001JZ4 MDL No:
Product Description
Catalog Number:
AG001JZ4
Chemical Name:
Ethanaminium, N,N,N-trimethyl-2-[(2-nitrophenyl)amino]-, iodide (1:1)
CAS Number:
144674-97-5
Molecular Formula:
C11H18IN3O2
Molecular Weight:
351.1840
IUPAC Name:
trimethyl-[2-(2-nitroanilino)ethyl]azanium;iodide
InChI:
InChI=1S/C11H18N3O2.HI/c1-14(2,3)9-8-12-10-6-4-5-7-11(10)13(15)16;/h4-7,12H,8-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
VBHCNQKGNVQHTK-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccccc1NCC[N+](C)(C)C.[I-]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.188g/mol
Monoisotopic Mass:
351.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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