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182963-94-6

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Basic Information
CAS No.: 182963-94-6
Name: 3-[3-(Dimethylamino)propoxy]benzylamine
Article Data: 1
Molecular Structure:
Molecular Structure of 182963-94-6 (3-[3-(Dimethylamino)propoxy]benzylamine)
Formula: C12H20N2O
Molecular Weight: 208.304
Synonyms: 3-[3-(Aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine;
Density: 1.007 g/cm3
Boiling Point: 327 °C at 760 mmHg
Flash Point: 151.6 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 38.49000
LogP: 2.17610
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Specification

This chemical is called Benzenemethanamine, 3-[3-(dimethylamino)propoxy]-, and its systematic name is 3-[3-(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 182963-94-6.

Other characteristics of the Benzenemethanamine, 3-[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: 151.6 °C; (18)Enthalpy of Vaporization: 56.93 kJ/mol; (19)Boiling Point: 327 °C at 760 mmHg; (20)Vapour Pressure: 0.000208 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CN(C)CCCOc1cc(ccc1)CN
2.InChI: InChI=1/C12H20N2O/c1-14(2)7-4-8-15-12-6-3-5-11(9-12)10-13/h3,5-6,9H,4,7-8,10,13H2,1-2H3
3.InChIKey: VRMIFLYRNDVHIN-UHFFFAOYAF