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| CAS No.: | 916766-87-5 |
|---|---|
| Name: | 2-[3-(Dimethylamino)propoxy]benzylamine |
| Molecular Structure: | |
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| Formula: | C12H20N2O |
| Molecular Weight: | 208.30 |
| Synonyms: | 2-[3-(Dimethylamino)propoxy]benzylamine;2-[3-(Dimethylamino)propoxy]benzylamine 97%;2-[3-(Dimethylamino)propoxy]benzylamine, {2-[3-(Dimethylamino)propoxy]phenyl}methylamine;3-[2-(Aminomethyl)phenoxy]-N,N-dimethylpropylamine 97% |
| Density: | 1.007 g/cm3 |
| Boiling Point: | 317.7 °C at 760 mmHg |
| Flash Point: | 146 °C |
| Hazard Symbols: |
 C
|
| PSA: | 38.49000 |
| LogP: | 2.17610 |
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Specification
This chemical is called Benzenemethanamine, 2-[3-(dimethylamino)propoxy]-, and its systematic name is 3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine. With the molecular formula of C12H20N2O, its molecular weight is 208.30. The CAS registry number of this chemical is 916766-87-5.
Other characteristics of the Benzenemethanamine, 2-[3-(dimethylamino)propoxy]- can be summarised as followings: (1)ACD/LogP: 0.93; (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: 7; (10)Polar Surface Area: 38.49 Å2; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 63.63 cm3; (13)Molar Volume: 206.7 cm3; (14)Polarizability: 25.22×10-24cm3; (15)Surface Tension: 38.4 dyne/cm; (16)Density: 1.007 g/cm3; (17)Flash Point: 146 °C; (18)Enthalpy of Vaporization: 55.92 kJ/mol; (19)Boiling Point: 317.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000377 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CN(C)CCCOc1ccccc1CN
2.InChI: InChI=1/C12H20N2O/c1-14(2)8-5-9-15-12-7-4-3-6-11(12)10-13/h3-4,6-7H,5,8-10,13H2,1-2H3
3.InChIKey: CWYPVGNYPWEJLK-UHFFFAOYAJ