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| CAS No.: | 17797-11-4 |
|---|---|
| Name: | 1-(4-Chlorophenyl)-1-methylethylamine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H12ClN |
| Molecular Weight: | 169.654 |
| Synonyms: | Benzylamine,p-chloro-a,a-dimethyl- (8CI);1-(4-Chlorophenyl)-1-methylethylamine;4-Chloro-a,a-dimethylbenzylamine;p-Chloro-a,a-dimethylbenzylamine; |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 237.293 °C at 760 mmHg |
| Flash Point: | 110.926 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 26.02000 |
| LogP: | 3.23410 |
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Specification
This chemical is called Benzenemethanamine, 4-chloro-α,α-dimethyl-, and its systematic name is 2-(4-chlorophenyl)propan-2-amine. With the molecular formula of C9H12ClN, its molecular weight is 169.65. The CAS registry number of this chemical is 17797-11-4. Additionally, its product categories are Aminomethyl's; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het.
Other characteristics of the Benzenemethanamine, 4-chloro-α,α-dimethyl- can be summarised as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (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; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 48.437 cm3; (15)Molar Volume: 155.242 cm3; (16)Polarizability: 19.202×10-24cm3; (17)Surface Tension: 36.063 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 110.926 °C; (20)Enthalpy of Vaporization: 47.412 kJ/mol; (21)Boiling Point: 237.293 °C at 760 mmHg; (22)Vapour Pressure: 0.045 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(cc1)C(N)(C)C
2.InChI: InChI=1/C9H12ClN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3
3.InChIKey: JCUUNSQUTQELEZ-UHFFFAOYAU