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618-36-0

618-36-0 structural image
Product Name: DL-alpha-Methylbenzylamine
Formula: C8H11N
Synonyms: (±)-α-Methylbenzylamine;(±)-1-Phenylethylamine;alpha-Methylbenzylamine
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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

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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 1.2
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.