-
Name
D-TYROSINOL
- EINECS
- CAS No. 58889-64-8
- Article Data4
- CAS DataBase
- Density 1.205 g/cm3
- Solubility
- Melting Point
- Formula C9H13NO2
- Boiling Point 375.2 °C at 760 mmHg
- Molecular Weight 167.208
- Flash Point 180.7 °C
- Transport Information
- Appearance Colorless crystalline
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Benzenepropanol,b-amino-4-hydroxy-, (R)-;(R)-4-(2-Amino-3-hydroxypropyl)phenol;4-((2R)-2-Amino-3-hydroxypropyl)phenol;D-Tyrosinol;
- PSA 66.48000
- LogP 0.95460
4-[(2R)-2-Amino-3-hydroxypropyl]phenol Specification
The Benzenepropanol, β-amino-4-hydroxy-, (βR)- is an organic compound with the formula C9H13NO2. The IUPAC name of this chemical is 4-[(2R)-2-Amino-3-hydroxypropyl]phenol. With the CAS registry number 58889-64-8, it is also named as (2R)-2-Amino-3-(4-hydroxyphenyl)propan-1-ol. The category of the product is Amino alcohols. Besides, its molecular weight is 167.21.
The physical properties of Benzenepropanol, β-amino-4-hydroxy-, (βR)- are: (1)ACD/LogP: 0.04; (2)ACD/LogD (pH 5.5): -3.02; (3)ACD/LogD (pH 7.4): -2.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 47.34 cm3; (14)Molar Volume: 138.7 cm3; (15)Polarizability: 18.76×10-24 cm3; (16)Surface Tension: 57.3 dyne/cm; (17)Density: 1.205 g/cm3; (18)Flash Point: 180.7 °C; (19)Enthalpy of Vaporization: 65.69 kJ/mol; (20)Boiling Point: 375.2 °C at 760 mmHg; (21)Vapour Pressure: 2.7E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)C[C@@H](N)CO
(2)InChI: InChI=1/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m1/s1
(3)InChIKey: DBLDQZASZZMNSL-MRVPVSSYBX
(4)Std. InChI: InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m1/s1
(5)Std. InChIKey: DBLDQZASZZMNSL-MRVPVSSYSA-N
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