CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992) |
|---|---|
| Melting Point | greater than 572 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
COMPUTED DESCRIPTORS
| Molecular Weight | 646.6 g/mol |
|---|---|
| XLogP3 | 7.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 646.11648630 g/mol |
| Monoisotopic Mass | 646.11648630 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1460 |
| 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
Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992)