2-(Phenethylamino)-1-phenyl-ethanol supplier

Name
2-(PHENETHYLAMINO)-1-PHENYL-1-ETHANOL
EINECS
CAS No. 4164-20-9
Article Data4
CAS DataBase
Density 1.082 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₉NO
Boiling Point 390.4 °C at760 mmHg
Molecular Weight 241.333
Flash Point 122.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms alpha-(phenethylamino)methyl-benzylalcoho;N-PHENYLETHYL-PHENYLETHANOL-AMINE;2-(PHENETHYLAMINO)-1-PHENYL-1-ETHANOL;1-Phenyl-2-(phenethylamino)ethanol;2-(Phenethylamino)-1-phenylethanol
PSA 32.26000
LogP 2.94320

2-(Phenethylamino)-1-phenyl-ethanol Specification

The 2-(Phenethylamino)-1-phenyl-ethanol, with the CAS registry number 4164-20-9, is also known as N-Phenylethyl-phenylethanol-amine. This chemical's molecular formula is C₁₆H₁₉NO and molecular weight is 241.33. Its systematic name is called 1-phenyl-2-(2-phenylethylamino)ethanol.

Physical properties of 2-(Phenethylamino)-1-phenyl-ethanol: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.22; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 18.05; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.584; (13) Molar Refractivity: 74.68 cm³; (14)Molar Volume: 223 cm³; (15)Polarizability: 29.6 10-24cm³; (16)Surface Tension: 45.3 dyne/cm; (17) Density: 1.082 g/cm³; (18)Flash Point: 122.4 °C; (19)Enthalpy of Vaporization: 67.49 kJ/mol; (20)Boiling Point: 390.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)CNCCc2ccccc2
(2)InChI: InChI=1/C16H19NO/c18-16(15-9-5-2-6-10-15)13-17-12-11 -14-7-3-1-4-8-14/h1-10,16-18H,11-13H2
(3)InChIKey: LXTNZWGUMORTKT-UHFFFAOYAH

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	30mg/kg (30mg/kg)		Journal of Medicinal Chemistry. Vol. 15, Pg. 445, 1972.

Product Name

2-(PHENETHYLAMINO)-1-PHENYL-1-ETHANOL

2-(Phenethylamino)-1-phenyl-ethanol Specification

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