CHEMICAL AND PHYSICAL PROPERTIES
Ionization Efficiency | Positive |
---|---|
Dissociation Constants | 7.34 |
Collision Cross Section | 175.62 Ų [M+H]+ |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. P281:Use personal protective equipment as required. |
COMPUTED DESCRIPTORS
Molecular Weight | 303.5 g/mol |
---|---|
XLogP3 | 5.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 5 |
Exact Mass | 303.256214676 g/mol |
Monoisotopic Mass | 303.256214676 g/mol |
Topological Polar Surface Area | 12.5 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 317 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
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
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is an alkylbenzene.