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| CAS No.: | 39959-67-6 |
|---|---|
| Name: | 1-(2-Chlorophenyl)ethanamine |
| Molecular Structure: | |
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| Formula: | C8H10ClN |
| Molecular Weight: | 155.627 |
| Synonyms: | Benzylamine,o-chloro-a-methyl- (7CI);1-(2-Chlorophenyl)ethanamine;1-(2-Chlorophenyl)ethylamine;2-Chloro-a-methylbenzylamine;NSC 173076;o-Chloro-a-methylbenzylamine; |
| 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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Specification
The CAS register number of Benzenemethanamine,2-chloro-a-methyl- is 39959-67-6. It also can be called as 2-Chloro-a-methylbenzylamine and the IUPAC name about this chemical is 1-(2-chlorophenyl)ethanamine. The molecular formula about this chemical is C8H10ClN and the molecular weight is 155.6271. It belongs to the following product categories which include Amines and Anilines; API intermediates and so on.
Physical properties about Benzenemethanamine,2-chloro-a-methyl- are: (1)ACD/LogP: 2.03; (2)#H bond acceptors: 1; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 3.24 Å2; (6)Index of Refraction: 1.551; (7)Molar Refractivity: 44.23 cm3; (8)Molar Volume: 138.6 cm3; (9)Polarizability: 17.53x10-24cm3; (10)Surface Tension: 39.4 dyne/cm; (11)Density: 1.122 g/cm3; (12)Flash Point: 93.3 °C; (13)Enthalpy of Vaporization: 45.38 kJ/mol; (14)Boiling Point: 217.4 °C at 760 mmHg; (15)Vapour Pressure: 0.133 mmHg at 25°C; (16)Heavy Atom Count: 10; (17)Complexity: 105; (18)Undefined Atom StereoCenter Count: 1; (19)Covalently-Bonded Unit Count: 1; (20)Feature 3D Donor Count: 1; (21)Feature 3D Cation Count: 1; (22)Feature 3D Ring Count: 1; (23)Effective Rotor Count: 1; (24)Conformer Sampling RMSD: 0.4; (25)CID Conformer Count: 5.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(N)C
(2)InChI: InChI=1/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
(3)InChIKey: RJPLGQTZHLRZGX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
(5)Std. InChIKey: RJPLGQTZHLRZGX-UHFFFAOYSA-N