Benzenebutanoic acid, a-amino-4-hydroxy- supplier

Name
(S)-2-AMINO-4-(4-HYDROXY-PHENYL)-BUTYRIC ACID
EINECS
CAS No. 185062-84-4
Article Data11
CAS DataBase
Density 1.281 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₃
Boiling Point 397 °C at 760 mmHg
Molecular Weight 195.218
Flash Point 193.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Homotyrosine;(S)-2-Amino-4-(4-hydroxy-phenyl)-butyric acid;
PSA 83.55000
LogP 1.43700

Benzenebutanoic acid, a-amino-4-hydroxy- Specification

The CAS register number of Benzenebutanoic acid, a-amino-4-hydroxy- is 185062-84-4. It also can be called as L-Homotyrosine and the systematic name about this chemical is (2S)-2-amino-4-(4-hydroxyphenyl)butanoic acid. The molecular formula about this chemical is C₁₀H₁₃NO₃ and the molecular weight is 195.22.

Physical properties about are: (1)D/LogP: 0.80; (2)#H bond acceptors: 4; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 83.55 Å²; (6)Index of Refraction: 1.598; (7)Molar Refractivity: 52 cm³; (8)Molar Volume: 152.3 cm³; (9)Polarizability: 20.61x10^-24cm³; (10)Surface Tension: 61.4 dyne/cm; (11)Density: 1.281 g/cm³; (12)Flash Point: 193.9 °C; (13)Enthalpy of Vaporization: 68.28 kJ/mol; (14)Boiling Point: 397 °C at 760 mmHg; (15)Vapour Pressure: 5.13E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(CC[C@H](N)C(O)=O)cc1
(2)InChI: InChI=1/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1
(3)InChIKey: LOOZZTFGSTZNRX-VIFPVBQEBT
(4)Std. InChI: InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1
(5)Std. InChIKey: LOOZZTFGSTZNRX-VIFPVBQESA-N

Product Name

(S)-2-AMINO-4-(4-HYDROXY-PHENYL)-BUTYRIC ACID

Benzenebutanoic acid, a-amino-4-hydroxy- Specification

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