64-04-0
Product Name:
2-PhenylethylaMine
Formula:
C8H11N
Synonyms:
β-Phenylethylamine;2-Phenethylamine;2-Phenylethylamine;Phenethylamine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid with a fishy odor; Absorbs carbon dioxide from the air; [Merck Index] Colorless liquid; [MSDSonline] |
|---|---|
| Color/Form | Colorless to slightly yellow liquid |
| Odor | Fishy odor |
| Boiling Point | 197.5 °C |
| Melting Point | -60 °C |
| Flash Point | 81 °C (178 °F) - closed cup |
| Solubility | Soluble in water |
| Density | 0.9640 g/cu cm at 25 °C |
| Vapor Density | 4.18 (Air = 1) |
| Vapor Pressure | 0.29 [mmHg] |
| LogP | 1.41 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides, nitrogen oxides (NOx). |
| pH | Strong base |
| Refractive Index | Index of refraction: 1.5290 at 25 °C/D |
| Dissociation Constants | 9.83 (at 25 °C) |
| Collision Cross Section | 117.85 Ų [M+H-NH3]+ |
| Kovats Retention Index | 1069.9 1115 1098 1115 1133 1120 1125 1100 1120 1079 1133 1111 |
| Other Experimental Properties | Absorbs carbon dioxide from the air; does not solidify when cooled in an ice-salt mixture. |
| Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H290:Corrosive to Metals H301:Acute toxicity,oral H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P234:Keep only in original container. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 121.18 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 121.089149355 g/mol |
| Monoisotopic Mass | 121.089149355 g/mol |
| Topological Polar Surface Area | 26 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 65 |
| 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
2-phenylethylamine is a phenylethylamine having the phenyl substituent at the 2-position. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a phenylethylamine, an aralkylamine and an alkaloid. It is a conjugate base of a 2-phenylethanaminium.