CHEMICAL AND PHYSICAL PROPERTIES
Ionization Efficiency | Positive |
---|---|
Kovats Retention Index | 1827 1822.8 1815.7 |
COMPUTED DESCRIPTORS
Molecular Weight | 229.71 g/mol |
---|---|
XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 229.1094232 g/mol |
Monoisotopic Mass | 229.1094232 g/mol |
Topological Polar Surface Area | 62.7 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 180 |
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 |
PRODUCT INTRODUCTION
description
N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It is a diamino-1,3,5-triazine and a chloro-1,3,5-triazine.