3-Methy-DL-Phenylalanine supplier

Name
2-AMINO-3-M-TOLYL-PROPIONIC ACID
EINECS
CAS No. 5472-70-8
Article Data6
CAS DataBase
Density 1.343 g/cm³
Solubility
Melting Point 245oC
Formula C₂₀H₁₈N₂O₂
Boiling Point 567.2 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 296.8°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(Cyclohexylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one;5-(Cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one;
PSA 63.32000
LogP 1.64970

3-Methy-DL-Phenylalanine Specification

The 6H-Anthra[1,9-cd]isoxazol-6-one, 5-(cyclohexylamino)-, with the CAS registry number 5472-70-8, is also known as 5-(Cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one. This chemical's molecular formula is C₂₀H₁₈N₂O₂ and molecular weight is 318.37. What's more, its systematic name is 5-(cyclohexylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one.

Physical properties of 6H-Anthra[1,9-cd]isoxazol-6-one, 5-(cyclohexylamino)- are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 46.34 Å²; (7)Index of Refraction: 1.712; (8)Molar Refractivity: 92.8 cm³; (9)Molar Volume: 236.9 cm³; (10)Surface Tension: 68.1 dyne/cm; (11)Density: 1.343 g/cm³; (12)Flash Point: 296.8 °C; (13)Enthalpy of Vaporization: 85.15 kJ/mol; (14)Boiling Point: 567.2 °C at 760 mmHg; (15)Vapour Pressure: 6.99E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c2c1c(onc1ccc2NC3CCCCC3)c5c4cccc5
(2)InChI: InChI=1S/C20H18N2O2/c23-19-13-8-4-5-9-14(13)20-18-16(22-24-20)11-10-15(17(18)19)21-12-6-2-1-3-7-12/h4-5,8-12,21H,1-3,6-7H2
(3)InChIKey: KBPYRPUMOVFZRJ-UHFFFAOYSA-N

Product Name

2-AMINO-3-M-TOLYL-PROPIONIC ACID

3-Methy-DL-Phenylalanine Specification

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