CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
---|---|
Melting Point | 139 °C |
Solubility | 4.95e-01 g/L |
LogP | 1.79 |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H332:Acute toxicity,inhalation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 315.37 g/mol |
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XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Exact Mass | 315.16952493 g/mol |
Monoisotopic Mass | 315.16952493 g/mol |
Topological Polar Surface Area | 83.1 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 433 |
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
6-methoxy-N-[(1-prop-2-enyl-2-pyrrolidinyl)methyl]-2H-benzotriazole-5-carboxamide is a member of benzotriazoles.