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88072-67-7 | Benzenemethanaminium, N,N,N-triethyl-4-nitro-
CAS No: 88072-67-7 Catalog No: AG004KK7 MDL No:
Product Description
Catalog Number:
AG004KK7
Chemical Name:
Benzenemethanaminium, N,N,N-triethyl-4-nitro-
CAS Number:
88072-67-7
Molecular Formula:
C13H21N2O2+
Molecular Weight:
237.3180
IUPAC Name:
triethyl-[(4-nitrophenyl)methyl]azanium
InChI:
InChI=1S/C13H21N2O2/c1-4-15(5-2,6-3)11-12-7-9-13(10-8-12)14(16)17/h7-10H,4-6,11H2,1-3H3/q+1
InChI Key:
JEEVKSRRRJVMTA-UHFFFAOYSA-N
SMILES:
CC[N+](Cc1ccc(cc1)[N+](=O)[O-])(CC)CC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.16g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.323g/mol
Monoisotopic Mass:
237.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Membrane potential-dependent inhibition of the Na+,K+-ATPase by para-nitrobenzyltriethylammonium bromide. | Molecular pharmacology 20120701 |
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