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| CAS No.: | 603945-51-3 |
|---|---|
| Name: | 1-(2,5-DICHLORO-PHENYL)-ETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C8H9Cl2N |
| Molecular Weight: | 190.07 |
| Synonyms: | 1-(2,5-DICHLORO-PHENYL)-ETHYLAMINE |
| Density: | 1.262 g/cm3 |
| Boiling Point: | 244.4 °C at 760 mmHg |
| Flash Point: | 101.6 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 26.02000 |
| LogP: | 3.71340 |
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- Total:16 Page 1 of 1 1
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Specification
This chemical is called Benzenemethanamine, 2,5-dichloro-α-methyl-, and its systematic name is 1-(2,5-dichlorophenyl)ethanamine. With the molecular formula of C8H9Cl2N, its molecular weight is 190.07. The CAS registry number of this chemical is 603945-51-3.
Other characteristics of the Benzenemethanamine, 2,5-dichloro-α-methyl- can be summarised as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 13.41; (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: 1.566; (14)Molar Refractivity: 49.13 cm3; (15)Molar Volume: 150.5 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 101.6 °C; (20)Enthalpy of Vaporization: 48.15 kJ/mol; (21)Boiling Point: 244.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0304 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(Cl)cc1C(N)C
2.InChI: InChI=1/C8H9Cl2N/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H
3.InChIKey: IVVIPUWVXFLYSU-UHFFFAOYAG