CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Not miscible with water (234 mg/L at 25 deg C); [ChemIDplus] Liquid; [MSDSonline] |
|---|---|
| Vapor Pressure | 0.39 [mmHg] |
| Kovats Retention Index | 1079.3 1085 1080.6 1084 1082 178.33 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 125.21 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 125.120449483 g/mol |
| Monoisotopic Mass | 125.120449483 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 88 |
| 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 |