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CAS No.: | 886362-19-2 |
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Name: | 3-(1'-AMINOETHYL)-1-N-BOC-ANILINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C13H20N2O2 |
Molecular Weight: | 236.31 |
Synonyms: | Carbamicacid, [3-(1-aminoethyl)phenyl]-, 1,1-dimethylethyl ester (9CI);tert-Butyl[3-(1-aminoethyl)phenyl]carbamate; |
Density: | 1.095 g/cm3 |
Boiling Point: | 303.6 °C at 760 mmHg |
Flash Point: | 137.4 °C |
PSA: | 64.35000 |
LogP: | 3.82660 |
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This chemical is called Carbamic acid, N-[3-(1-aminoethyl)phenyl]-, 1,1-dimethylethyl ester, and its systematic name is tert-Butyl [3-(1-aminoethyl)phenyl]carbamate. With the molecular formula of C13H20N2O2, its molecular weight is 236.31. The CAS registry number of this chemical is 886362-19-2.
Other characteristics of the Carbamic acid, N-[3-(1-aminoethyl)phenyl]-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 2.22; (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): 1.93; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 69.22 cm3; (13)Molar Volume: 215.6 cm3; (14)Polarizability: 27.44×10-24cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.095 g/cm3; (17)Flash Point: 137.4 °C; (18)Enthalpy of Vaporization: 54.39 kJ/mol; (19)Boiling Point: 303.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000923 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(c1cccc(c1)NC(=O)OC(C)(C)C)N
2.InChI: InChI=1/C13H20N2O2/c1-9(14)10-6-5-7-11(8-10)15-12(16)17-13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)
3.InChIKey: IUBFAZSFGODJPA-UHFFFAOYAO