98-84-0
Product Name:
DL-ALPHA-METHYLBENZYLAMINE
Formula:
C8H11N
Synonyms:
DL-α-Methylbenzylamine;DL-1-Phenylethylamine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | WATER-WHITE LIQ |
| Odor | MILD AMMONIACAL ODOR |
| Boiling Point | 188.5 °C |
| Melting Point | -65 °C |
| Flash Point | 79.4 °C |
| Solubility | SOL IN MOST ORG SOLVENTS & HYDROCARBONS |
| Density | 0.9535 @ 20 °C/20 °C |
| Vapor Density | 4.2 (AIR= 1) |
| Vapor Pressure | 0.5 [mmHg] |
| LogP | 1.49 |
| Refractive Index | INDEX OF REFRACTION: 1.5238 @ 25 °C/D; SADTLER REFERENCE NUMBER: 5859 (IR, PRISM); 8420 (IR, GRATING); 1640 (UV); 207 (NMR, VARIAN) /DL-FORM/ |
| Kovats Retention Index | 1019.5 1050 1029 1031 |
| Other Experimental Properties | BOILING POINT: 187 °C @ 760 MM HG; DENSITY: 0.9651 @ 15 °C; SPECIFIC OPTICAL ROTATION (METHANOL): +39.2 DEG @ 25 °C/D; SOL IN WATER; VERY SOL IN ALC, ETHER /D-FORM/ |
| Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
COMPUTED DESCRIPTORS
| Molecular Weight | 121.18 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| 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 | 74.6 |
| 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
1-phenylethylamine is a phenylethylamine that is ethylamine substituted by a phenyl group at position 1. It has a role as a human metabolite.