CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1150 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 145.20 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 145.110278721 g/mol |
| Monoisotopic Mass | 145.110278721 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 88.1 |
| 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 |
PRODUCT INTRODUCTION
description
1-nitroheptane is a primary nitroalkane that is heptane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a heptane.