CAS No.4985-46-0,H-TYR-NH2 HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4985-46-0
Name:	H-TYR-NH2 HCL
Article Data:	11

Formula:	C₉H₁₂N₂O₂
Molecular Weight:	180.206
Synonyms:	Benzenepropanamide,a-amino-4-hydroxy-, (S)-;Tyrosinamide (6CI);Tyrosinamide, L- (8CI);L-Tyrosinamide;L-Tyrosine amide;
Density:	1.268 g/cm³
Melting Point:	153.5°C
Boiling Point:	437.7 °C at 760 mmHg
Flash Point:	218.5 °C
PSA:	89.34000
LogP:	1.94990

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Specification

The Benzenepropanamide, alpha-amino-4-hydroxy-, (S)-, with the CAS registry number 4985-46-0, is also known as L-Tyrosinamide. It belongs to the product categories of Amino Acids; I - Z; Modified Amino Acids. This chemical's molecular formula is C₉H₁₂N₂O₂ and formula weight is 180.2. What's more, its IUPAC name is called (2S)-2-amino-3-(4-hydroxyphenyl)propanamide.

Physical properties of Benzenepropanamide, alpha-amino-4-hydroxy-, (S)-: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.4; (4)ACD/LogD (pH 7.4): -0.84; (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): 6.2; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 49.37 cm³; (14)Molar Volume: 142 cm³; (15)Surface Tension: 62.3 dyne/cm; (16)Density: 1.268 g/cm³; (17)Flash Point: 218.5 °C; (18)Enthalpy of Vaporization: 72.12 kJ/mol; (19)Boiling Point: 437.7 °C at 760 mmHg; (20)Vapour Pressure: 2.84E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](N)Cc1ccc(O)cc1
(2)InChI: InChI=1/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1
(3)InChIKey: PQFMNVGMJJMLAE-QMMMGPOBBB