Phenol,2-[(1S)-1-aminoethyl]- supplier

Name
(S)-1-(2-Hydroxyphenyl)ethylamine
EINECS
CAS No. 133511-37-2
Article Data5
CAS DataBase
Density 1.097g/cm³
Solubility
Melting Point
Formula C₈H₁₁NO
Boiling Point 246.289 °C at 760 mmHg
Molecular Weight 137.181
Flash Point 102.752 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-1-(2-Hydroxyphenyl)ethylamine;
PSA 46.25000
LogP 2.11220

Phenol,2-[(1S)-1-aminoethyl]- Specification

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

Product Name

(S)-1-(2-Hydroxyphenyl)ethylamine

Phenol,2-[(1S)-1-aminoethyl]- Specification

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