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(R)-(+)-1-(4-Methylphenyl)ethylamine

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Name

(R)-(+)-1-(4-Methylphenyl)ethylamine

EINECS -0
CAS No. 4187-38-6 Density 0.946 g/cm3
PSA 26.02000 LogP 2.71500
Solubility N/A Melting Point <-20°C
Formula C9H13N Boiling Point 208.569 °C at 760 mmHg
Molecular Weight 135.209 Flash Point 84.18 °C
Transport Information UN 2619 8/PG 2 Appearance colorless to light yellow liquid
Safety 16-26-27-36/37/39-45 Risk Codes 20/21/22-34
Molecular Structure Molecular Structure of 4187-38-6 ((R)-(+)-1-(4-Methylphenyl)ethylamine) Hazard Symbols CorrosiveC
Synonyms

(R)-(+)-1-(p-Tolyl)ethylamine;Benzenemethanamine, α,4-dimethyl-, (αR)-;(R)-(+)-4-(1-aminoethyl)toluene;

Article Data 46

(R)-(+)-1-(4-Methylphenyl)ethylamine Specification

The (R)-(+)-1-(p-Tolyl)ethylamine, with the CAS registry number 4187-38-6, is also known as Benzenemethanamine, α,4-dimethyl-, (alphaR)-. It belongs to the product categories of Chiral; API intermediates; Amines (Chiral); Asymmetric Synthesis; Chiral Building Blocks; For Resolution of Acids; Optical Resolution; Synthetic Organic Chemistry; Amines; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C9H13N and molecular weight is 135.21. Its systematic name is called (1R)-1-(4-methylphenyl)ethanamine. This chemical is colorless to light yellow liquid. The product should be sealed and stored in cool and dry place.

Physical properties of (R)-(+)-1-(p-Tolyl)ethylamine: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.18; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.08; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 44.16 cm3; (14)Molar Volume: 142.9 cm3; (15)Surface Tension: 35.6 dyne/cm; (16)Density: 0.945 g/cm3; (17)Flash Point: 84.2 °C; (18)Enthalpy of Vaporization: 44.48 kJ/mol; (19)Boiling Point: 208.6 °C at 760 mmHg; (20)Vapour Pressure: 0.212 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it may cause burns. You should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N[C@@H](c1ccc(cc1)C)C
(2)InChI: InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m1/s1
(3)InChIKey: UZDDXUMOXKDXNE-MRVPVSSYBM

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