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CAS No.: | 68285-26-7 |
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Name: | Benzenemethanamine, 2-chloro-a-methyl-,(S)- |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C8H10ClN |
Molecular Weight: | 155.627 |
Synonyms: | Benzenemethanamine, 2-chloro-a-methyl-, (S)-; |
Density: | 1.122 g/cm3 |
Boiling Point: | 217.4 °C at 760 mmHg |
Flash Point: | 93.3 °C |
PSA: | 26.02000 |
LogP: | 3.06000 |
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The CAS register number of Benzenemethanamine, 2-chloro-a-methyl-, (aS)- is 68285-26-7. It also can be called as Benzenemethanamine, 2-chloro-a-methyl-, (S)- and the systematic name about this chemical is (1S)-1-(2-chlorophenyl)ethanamine. The molecular formula about this chemical is C8H10ClN and the molecular weight is 155.6247. It belongs to the following product category which includes API intermediates.
Physical properties about Benzenemethanamine, 2-chloro-a-methyl-, (aS)- are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): -0.99; (3)ACD/LogD (pH 7.4): 0.13; (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): 3.79; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 44.23 cm3; (14)Molar Volume: 138.6 cm3; (15)Polarizability: 17.53x10-24cm3; (16)Surface Tension: 39.4 dyne/cm; (17)Density: 1.122 g/cm3; (18)Flash Point: 93.3 °C; (19)Enthalpy of Vaporization: 45.38 kJ/mol; (20)Boiling Point: 217.4 °C at 760 mmHg; (21)Vapour Pressure: 0.133 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1[C@@H](N)C
(2)InChI: InChI=1/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m0/s1
(3)InChIKey: RJPLGQTZHLRZGX-LURJTMIEBD
(4)Std. InChI: InChI=1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m0/s1
(5)Std. InChIKey: RJPLGQTZHLRZGX-LURJTMIESA-N