CAS No.5241-58-7,H-PHE-NH2 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5241-58-7
Name:	H-PHE-NH2
Article Data:	58

Formula:	C₉H₁₂N₂O
Molecular Weight:	164.207
Synonyms:	H-Phe-NH2;Benzenepropanamide,a-amino-, (S)-;Hydrocinnamamide, a-amino-, L- (8CI);(S)-2-Amino-3-phenylpropanamide;(S)-2-Amino-3-phenylpropionamide;(S)-Phenylalaninamide;L-Phenylalanine amide;Phenylalaninamide;Phenylalanylamide;
Density:	1.143 g/cm³
Melting Point:	93-95 °C
Boiling Point:	356.9 °C at 760 mmHg
Flash Point:	169.7 °C
Appearance:	off-white solid
Hazard Symbols:	Xi
PSA:	69.11000
LogP:	1.44230

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Specification

The Benzenepropanamide, alpha-amino-, (alphaS)-, with the CAS registry number 5241-58-7, is also known as (S)-α-Aminobenzenepropanamide. It belongs to the product categories of Phenylalanine [Phe, F]; Amino Acids and Derivatives; Amino Acid Derivatives; Peptide Synthesis; Phenylalanine; Amino Acids; I - Z; Modified Amino Acids. This chemical's molecular formula is C₉H₁₂N₂O and formula weight is 164.2. What's more, its IUPAC name is called (2S)-2-amino-3-phenylpropanamide.This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzenepropanamide, alpha-amino-, (alphaS)-: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): ; (4)ACD/LogD (pH 7.4): 0.01; (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): 20.13; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4 ; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 47.49 cm³; (14)Molar Volume: 143.6 cm³; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.143 g/cm³; (17)Flash Point: 169.7 °C; (18)Enthalpy of Vaporization: 60.22 kJ/mol; (19)Boiling Point: 356.9 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](N)Cc1ccccc1
(2)InChI: InChI=1/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
(3)InChIKey: OBSIQMZKFXFYLV-QMMMGPOBBR