CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Acros Organics MSDS] |
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Kovats Retention Index | 2862 |
Chemical Classes | Nitrogen Compounds -> Amines, Aliphatic |
COMPUTED DESCRIPTORS
Molecular Weight | 437.8 g/mol |
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XLogP3 | 13.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 27 |
Exact Mass | 437.496051014 g/mol |
Monoisotopic Mass | 437.496051014 g/mol |
Topological Polar Surface Area | 3.2 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 253 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |