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CAS No.: | 220645-42-1 |
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Name: | TERT-BUTYL 3-(ETHYLAMINO)PROPYLCARBAMATE |
Molecular Structure: | |
Formula: | C10H22N2O2 |
Molecular Weight: | 202.29 |
Synonyms: | (1-Isopropyl-piperidin-4-yl)-carbamic acid tert-butyl ester;tert-Butyl N-[3-(ethylamino)propyl]carbamate; |
Density: | 0.942 g/cm3 |
Boiling Point: | 297.348 °C at 760 mmHg |
Flash Point: | 133.632 °C |
PSA: | 50.36000 |
LogP: | 2.29250 |
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The Carbamic acid, N-[3-(ethylamino)propyl]-, 1, 1-dimethylethyl ester, with the CAS registry number of 220645-42-1, is also known as (1-Isopropyl-piperidin-4-yl)-carbamic acid tert-butyl ester. It belongs to the product category of N-BOC. This chemical's molecular formula is C10H22N2O2 and molecular weight is 202.29. What's more, its systematic name is tert-Butyl N-[3-(ethylamino)propyl]carbamate.
Physical properties about Carbamic acid, N-[3-(ethylamino)propyl]-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 1.48; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 50.36 Å2; (11)Index of Refraction: 1.446; (12)Molar Refractivity: 57.308 cm3; (13)Molar Volume: 214.766 cm3; (14)Polarizability: 22.719×10-24 cm3; (15)Surface Tension: 30.752 dyne/cm; (16)Density: 0.942 g/cm3; (17)Flash Point: 133.632 °C; (18)Enthalpy of Vaporization: 53.719 kJ/mol; (19)Boiling Point: 297.348 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: CCNCCCNC(=O)OC(C)(C)C
(2) InChI: InChI=1/C10H22N2O2/c1-5-11-7-6-8-12-9(13)14-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13)
(3) InChIKey: OMWYORSLYQMJGD-UHFFFAOYAD