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55621-29-9

55621-29-9 structural image
Product Name: N-BUTYL-N-(2-HYDROXYBUTYL)NITROSAMINE
Formula: C8H18N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 174.24 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 174.136827821 g/mol
Monoisotopic Mass 174.136827821 g/mol
Topological Polar Surface Area 52.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 120
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes