Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Amino-3-(4-chlorophenyl)propan-1-ol |
EINECS | 252-533-5 |
CAS No. | 35373-63-8 | Density | 1.219 g/cm3 |
PSA | 46.25000 | LogP | 1.90240 |
Solubility | N/A | Melting Point |
80-82 °C(lit.) |
Formula | C9H12ClNO | Boiling Point | 338.4 °C at 760 mmHg |
Molecular Weight | 185.653 | Flash Point | 158.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzenepropanol,b-amino-4-chloro-, (?à)-;(RS)-4-Chlorophenylalaninol;2-Amino-3-(4-chlorophenyl)-1-propanol;2-Amino-3-(4-chlorophenyl)propanol;2-Amino-3-(p-chlorophenyl)propanol;4-Chlorophenylalaninol;DL-4-Chlorophenylalaninol;p-Chlorophenylalaninol; |
Article Data | 3 |
The Benzenepropanol, β-amino-4-chloro- is an organic compound with the formula C9H12ClNO. The systematic name of this chemical is 2-Amino-3-(4-chlorophenyl)propan-1-ol. With the CAS registry number 35373-63-8, it is also named as 2-Amino-3-(4-chlorophenyl)-1-propanol. Besides, its molecular weight is 185.65.
The physical properties of Benzenepropanol, β-amino-4-chloro- are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): -1.62; (3)ACD/LogD (pH 7.4): -0.35; (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): 2.54; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 50.35 cm3; (14)Molar Volume: 152.2 cm3; (15)Polarizability: 19.96×10-24 cm3; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.219 g/cm3; (18)Flash Point: 158.5 °C; (19)Enthalpy of Vaporization: 61.41 kJ/mol; (20)Boiling Point: 338.4 °C at 760 mmHg; (21)Vapour Pressure: 3.82E-05 mmHg at 25 °C.
Uses of Benzenepropanol, β-amino-4-chloro-: it and (2R,3R,4S,5R)-2-(6-Amino-2-chloro-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol can be used to produce 2-{6-Amino-2-[2-(4-chloro-phenyl)-1-hydroxymethyl-ethylamino]-purin-9-yl}-5-(2-ethyl-2H-tetrazol-5-yl)-tetrahydro-furan-3,4-diol at temperature of 145 °C. It will need reagent iPr2NEt and solvent dimethylsulfoxide with reaction time of 22 hours. The yield is about 39%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CC(N)CO
(2)InChI: InChI=1/C9H12ClNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2
(3)InChIKey: RPHQMRWKOPBZQY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2
(5)Std. InChIKey: RPHQMRWKOPBZQY-UHFFFAOYSA-N