Benzenepropanamide, alpha-amino-4-hydroxy-, (S)- supplier

Name
H-TYR-NH2 HCL
EINECS
CAS No. 4985-46-0
Article Data11
CAS DataBase
Density 1.268 g/cm³
Solubility
Melting Point 153.5°C
Formula C₉H₁₂N₂O₂
Boiling Point 437.7 °C at 760 mmHg
Molecular Weight 180.206
Flash Point 218.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanamide,a-amino-4-hydroxy-, (S)-;Tyrosinamide (6CI);Tyrosinamide, L- (8CI);L-Tyrosinamide;L-Tyrosine amide;
PSA 89.34000
LogP 1.94990

Benzenepropanamide, alpha-amino-4-hydroxy-, (S)- 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

Product Name

H-TYR-NH2 HCL

Benzenepropanamide, alpha-amino-4-hydroxy-, (S)- Specification

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