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Name |
Phenol,2-[(1S)-1-aminoethyl]- |
EINECS | N/A |
CAS No. | 133511-37-2 | Density | 1.097g/cm3 |
PSA | 46.25000 | LogP | 2.11220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11NO | Boiling Point | 246.289 °C at 760 mmHg |
Molecular Weight | 137.181 | Flash Point | 102.752 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-1-(2-Hydroxyphenyl)ethylamine; |
Article Data | 5 |
The Phenol,2-[(1S)-1-aminoethyl]-, with CAS registry number 133511-37-2, belongs to the following product category: API intermediates. It has the systematic name of 2-[(1S)-1-aminoethyl]phenol. Besides this, it is also called (S)-1-(2-Hydroxyphenyl)ethylamine. And the chemical formula of this chemical is C8H11NO.
Physical properties of Phenol,2-[(1S)-1-aminoethyl]-: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 41.222 cm3; (15)Molar Volume: 125.106 cm3; (16)Polarizability: 16.342×10-24cm3; (17)Surface Tension: 46.434 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 102.752 °C; (20)Enthalpy of Vaporization: 50.298 kJ/mol; (21)Boiling Point: 246.289 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccccc1[C@@H](N)C
(2)InChI: InChI=1/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3/t6-/m0/s1
(3)InChIKey: ZWKWKJWRIYGQFD-LURJTMIEBJ
(4)Std. InChI: InChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3/t6-/m0/s1
(5)Std. InChIKey: ZWKWKJWRIYGQFD-LURJTMIESA-N