CAS No.68297-62-1,(S)-1-(3-Chlorophenyl)ethylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68297-62-1
Name:	(S)-1-(3-Chlorophenyl)ethylamine
Article Data:	15

Formula:	C₈H₁₀ClN
Molecular Weight:	155.627
Synonyms:	Benzenemethanamine,3-chloro-a-methyl-, (S)-;(S)-1-(3-Chlorophenyl)ethylamine;
Density:	1.122 g/cm³
Boiling Point:	215.8 °C at 760 mmHg
Flash Point:	91.9 °C
Appearance:	liquid
Hazard Symbols:	T,N
Risk Codes:	22-23-38-41-43-51/53
Safety:	26-36/37/39-45-61
Transport Information:	UN 2735
PSA:	26.02000
LogP:	3.06000

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Specification

The IUPAC name of (S)-1-(3-Chlorophenyl)ethylamine is (1S)-1-(3-chlorophenyl)ethanamine. With the CAS registry number 68297-62-1, it is also named as Benzenemethanamine,3-chloro-a-methyl-, (S)-. The product's category is API Intermediates. Besides, it is liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C₈H₁₀ClN and its molecular weight is 155.62.

The other characteristics of (S)-1-(3-Chlorophenyl)ethylamine can be summarized as: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): 0; (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): 2.82; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 44.23 cm³; (15)Molar Volume: 138.6 cm³; (16)Polarizability: 17.53×10^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.122 g/cm³; (19)Flash Point: 91.9 °C; (20)Enthalpy of Vaporization: 45.22 kJ/mol; (21)Boiling Point: 215.8 °C at 760 mmHg; (22)Vapour Pressure: 0.145 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(ccc1)[C@@H](N)C
(2)InChI: InChI=1/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
(3)InChIKey: DQEYVZASLGNODG-LURJTMIEBY
(4)Std. InChI: InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
(5)Std. InChIKey: DQEYVZASLGNODG-LURJTMIESA-N