CAS No.82796-69-8,(S)-1-(3-METHOXYPHENYL)ETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82796-69-8
Name:	(S)-1-(3-METHOXYPHENYL)ETHYLAMINE
Article Data:	52

Formula:	C₉H₁₃NO
Molecular Weight:	151.208
Synonyms:	Benzenemethanamine,3-methoxy-a-methyl-, (S)-;(S)-1-(3-Methoxyphenyl)ethanamine;(S)-1-(3-Methoxyphenyl)ethylamine;(S)-m-Methoxy-a-phenethylamine;(S)-m-Methoxy-a-phenylethylamine;[(1S)-1-(3-Methoxyphenyl)ethyl]amine;[(S)-(-)-1-(3-Methoxyphenyl)ethyl]amine;
Density:	1.003 g/cm³
Melting Point:	5℃
Boiling Point:	234.6 °C at 760 mmHg
Flash Point:	94.7 °C
Solubility:	Soluble in water (10g/L).
Hazard Symbols:	R21/22:Harmful in contact with skin and if swallowed.; R34:Causes burns.;
Risk Codes:	21/22-34
Safety:	26-36/37/39
PSA:	35.25000
LogP:	2.41520

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Specification

The (S)-1-(3-Methoxyphenyl)ethylamine with its cas register number is 82796-69-8. It also can be called as (S)-(-)-1-(3-Methoxyphenyl)ethylamine and the IUPAC Name about this chemical is (1S)-1-(3-methoxyphenyl)ethanamine. It belongs to the API intermediates.

Physical properties about (S)-1-(3-Methoxyphenyl)ethylamine are: (1)ACD/LogP: 1.35; (2)ACD/LogD (pH 5.5): -1.71; (3)ACD/LogD (pH 7.4): -0.88; (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): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47Å²; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 46.01 cm³; (14)Molar Volume: 150.6 cm3; (15)Polarizability: 18.24x10^-24cm³; (16)Surface Tension: 35.6 dyne/cm; (17)Enthalpy of Vaporization: 47.13 kJ/mol; (18)Vapour Pressure: 0.0524 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin and if swallowed and it may causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1)[C@@H](N)C)C
(2)InChI: InChI=1/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m0/s1
(3)InChIKey: CJWGCBRQAHCVHW-ZETCQYMHBV
(4)Std. InChI: InChI=1S/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m0/s1
(5)Std. InChIKey: CJWGCBRQAHCVHW-ZETCQYMHSA-N