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| CAS No.: | 1134-76-5 |
|---|---|
| Name: | 2-[3-(dimethylamino)propoxy]aniline |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C11H18N2O |
| Molecular Weight: | 194.277 |
| Synonyms: | Aniline,o-[3-(dimethylamino)propoxy]-(7CI,8CI);2-(3-Dimethylaminopropoxy)aniline; |
| Density: | 1.027 g/cm3 |
| Boiling Point: | 313.4 °C at 760 mmHg |
| Flash Point: | 143.3 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | C:Corrosive; ">  C:Corrosive; |
| PSA: | 38.49000 |
| LogP: | 2.18050 |
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Specification
The Benzenamine, 2-[3-(dimethylamino)propoxy]-, with the CAS registry number of 1134-76-5, is also known as Aniline, o-[3-(dimethylamino)propoxy]- (7CI, 8CI). This chemical's molecular formula is C11H18N2O and molecular weight is 194.2734. What's more, its systematic name is 2-[3-(Dimethylamino)propoxy]aniline. In addition, this chemical may destroy living tissue on contact.
Physical properties about Benzenamine, 2-[3-(dimethylamino)propoxy]- are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 38.49 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 59.42 cm3; (13)Molar Volume: 188.9 cm3; (14)Surface Tension: 39.7 dyne/cm; (15)Density: 1.027 g/cm3; (16)Flash Point: 143.3 °C; (17)Enthalpy of Vaporization: 55.44 kJ/mol; (18)Boiling Point: 313.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000498 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)CCCOc1ccccc1N
(2) InChI: InChI=1/C11H18N2O/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9,12H2,1-2H3
(3) InChIKey: XGTIDBFMHOJXSS-UHFFFAOYAL