Introduction:Basic information about L-1-Phenylethylamine CAS 2627-86-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
L-1-Phenylethylamine Basic information
| Product Name: | L-1-Phenylethylamine |
| Synonyms: | (-)-alpha-Phenethylamine;(S)-alpha-Methylbenzenemethanamine;Tetra-SodiumPyrophosph;(1S)-(-)-1-Phenylethylamine 99%;(s)-benzenemethanamin;(S)-1-Amino-1-phenylethane;(S)-(-)-ALPHA-METHYLBENZYLAMINE;S-(-)-ALPHA-PHENYLETHYLAMINE |
| CAS: | 2627-86-3 |
| MF: | C8H11N |
| MW: | 121.18 |
| EINECS: | 220-098-0 |
| Product Categories: | Amines (Chiral);Analytical Chemistry;Asymmetric Synthesis;Chiral Building Blocks;e.e. / Absolute Configuration Determination (NMR);Enantiomer Excess & Absolute Configuration Determination;for Resolution of Acids;Optical Resolution;chiral;Amines;Aromatics;Chiral Reagents;Synthetic Organic Chemistry;Chiral Compound;2627-86-3 |
| Mol File: | 2627-86-3.mol |
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L-1-Phenylethylamine Chemical Properties
| Melting point | -10 °C |
| alpha | -40 º (neat) |
| Boiling point | 187 °C(lit.) |
| density | 0.94 g/mL at 25 °C(lit.) |
| vapor pressure | 0.5 mm Hg ( 20 °C) |
| refractive index | n20/D 1.526(lit.) |
| Fp | 175 °F |
| storage temp. | 2-8°C |
| solubility | 42g/l |
| pka | 9.04±0.10(Predicted) |
| form | Liquid |
| color | Clear colorless |
| PH | >7 (H2O, 20°C) (undiluted) |
| Optical Rotation | [α]20/D 39°, neat |
| Water Solubility | slightly soluble |
| Sensitive | Air Sensitive |
| Merck | 14,6026 |
| BRN | 2204907 |
| InChI | 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1 |
| InChIKey | RQEUFEKYXDPUSK-ZETCQYMHSA-N |
| SMILES | C[C@H](N)c1ccccc1 |
| LogP | 1.31 at 25℃ |
| CAS DataBase Reference | 2627-86-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenemethanamine, «alpha»-methyl-, (S)-(2627-86-3) |
| EPA Substance Registry System | Benzenemethanamine, .alpha.-methyl-, (.alpha.S)- (2627-86-3) |
Safety Information
| Hazard Codes | C,Xi |
| Risk Statements | 21/22-34-35 |
| Safety Statements | 26-28-36/37/39-45-28A-27 |
| RIDADR | UN 2922 8/PG 2 |
| WGK Germany | 1 |
| RTECS | DP5775000 |
| F | 3-10-23-34 |
| Autoignition Temperature | 355 °C |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29214980 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 4 Oral Skin Corr. 1B |
| Toxicity | LD50 orally in Rabbit: 980 mg/kg LD50 dermal Rabbit 730 mg/kg |
L-1-Phenylethylamine Usage And Synthesis
| Chemical Properties | Colorless to light yellow liqui |
| Uses | (S)-(-)-1-Phenylethylamine is utilized in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole. |
| Uses | Used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole. |
| Uses | L-1-Phenylethylamine can be used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole |
| Definition | ChEBI: The (S)-enantiomer of 1-phenylethanamine. |
| General Description | (S)-(?)-α-Methylbenzylamine is a chiral derivatizing agent, which is employed for derivatizing enantiomers into diastereoisomers. |
| Flammability and Explosibility | Non flammable |
| Toxics Screening Level | The ITSL for L-alpha-phenylethylamine is 0.1 μg/m3 based on an annual averaging time. |
L-1-Phenylethylamine Preparation Products And Raw materials
| Raw materials | Sodium hydroxide-->Methanol-->Diethyl ether-->L(+)-Tartaric acid-->DL-alpha-Methylbenzylamine |
| Preparation Products | (R)-(+)-2-Methyl-2-propanesulfinamide-->(S)-(-)-2-Azetidinecarboxylic acid-->(R)-(+)-1,1'-Bi-2-naphthol-->(R)-3-Aminoquinuclidine dihydrochloride-->(S)-(-)-1,1'-Bi-2-naphthol-->(R)-(+)-BORNYLAMINE-->Esfenvalerate-->(-)-BIS[(S)-1-PHENYLETHYL]AMINE HYDROCHLORIDE-->(S)-(-)-N-Benzyl-1-phenylethylamine-->(-)-Bis[(S)-1-phenylethyl]amine-->(R)-(+)-N-Benzyl-1-phenylethylamine-->(S)-(-)-N,ALPHA-DIMETHYLBENZYLAMINE-->(S)-(-)-1-Phenylethyl isocyanate-->2,2,2-TRIFLUORO-N-[(S)-ALPHA-METHYLBENZYL]ACETAMIDE |