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138169-05-8 | 1-Butanamine, N-methyl-N-nitroso-4-[(1-oxido-3-pyridinyl)oxy]-
CAS No: 138169-05-8 Catalog No: AG001849 MDL No:
Product Description
Catalog Number:
AG001849
Chemical Name:
1-Butanamine, N-methyl-N-nitroso-4-[(1-oxido-3-pyridinyl)oxy]-
CAS Number:
138169-05-8
Molecular Formula:
C10H15N3O3
Molecular Weight:
225.2444
IUPAC Name:
N-methyl-N-[4-(1-oxidopyridin-1-ium-3-yl)oxybutyl]nitrous amide
InChI:
InChI=1S/C10H15N3O3/c1-12(11-14)6-2-3-8-16-10-5-4-7-13(15)9-10/h4-5,7,9H,2-3,6,8H2,1H3
InChI Key:
QKBVMKFGBNGKEZ-UHFFFAOYSA-N
SMILES:
O=NN(CCCCOc1ccc[n+](c1)[O-])C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.248g/mol
Monoisotopic Mass:
225.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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