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Home > Nitro Compounds > 123631-20-9
123631-20-9 | Piperidinium, 1-methyl-1-[(4-nitrophenyl)methyl]-, chloride (1:1)
CAS No: 123631-20-9 Catalog No: AG000KW7 MDL No:
Product Description
Catalog Number:
AG000KW7
Chemical Name:
Piperidinium, 1-methyl-1-[(4-nitrophenyl)methyl]-, chloride (1:1)
CAS Number:
123631-20-9
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
IUPAC Name:
1-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium;chloride
InChI:
InChI=1S/C13H19N2O2.ClH/c1-15(9-3-2-4-10-15)11-12-5-7-13(8-6-12)14(16)17;/h5-8H,2-4,9-11H2,1H3;1H/q+1;/p-1
InChI Key:
WPCIESCDYUVPCO-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)C[N+]1(C)CCCCC1.[Cl-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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