CAS No.66849-29-4,(S)-(-)-N-(2-HYDROXYETHYL)-ALPHA-PHENYLETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66849-29-4
Name:	(S)-(-)-N-(2-HYDROXYETHYL)-ALPHA-PHENYLETHYLAMINE
Article Data:	6

Formula:	C₁₀H₁₅NO
Molecular Weight:	165.235
Synonyms:	Ethanol,2-[(1-phenylethyl)amino]-, (S)-;
Density:	1.017 g/cm³
Melting Point:	76°C
Boiling Point:	285.7 °C at 760 mmHg
Flash Point:	114.4 °C
Appearance:	clear colorless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	32.26000
LogP:	1.72040

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Specification

The CAS registry number of Ethanol,2-[[(1S)-1-phenylethyl]amino]- is 66849-29-4. This chemical is also named as 2-{[(1S)-1-Phenylethyl]amino}ethanol. In addition, its molecular formula is C₁₀H₁₅NO and molecular weight is 165.23. Its IUPAC name is called 2-hydroxyethyl-[(1S)-1-phenylethyl]azanium.

Physical properties about Ethanol,2-[[(1S)-1-phenylethyl]amino]- are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): 0.05; (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): 5.66; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 50.2 cm³; (14)Molar Volume: 162.3 cm³; (15)Surface Tension: 39.4 dyne/cm; (16)Density: 1.017 g/cm³; (17)Flash Point: 114.4 °C; (18)Enthalpy of Vaporization: 55.43 kJ/mol; (19)Boiling Point: 285.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00129 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN[C@H](c1ccccc1)C
(2)InChI: InChI=1/C10H15NO/c1-9(11-7-8-12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
(3)InChIKey: GXIWMXAAPLZOBY-VIFPVBQEBV