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CAS No.: | 224309-64-2 |
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Name: | 4-N-BOC-AMINO-CYCLOHEXANOL |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C11H21NO3 |
Molecular Weight: | 215.293 |
Synonyms: | tert-Butyl (4-hydroxycyclohexyl)carbamate;4-[(tert-Butoxycarbonyl)amino]cyclohexanol; |
Density: | 1.06 g/cm3 |
Melting Point: | 170.0 to 174.0 °C |
Boiling Point: | 337.7 °C at 760 mmHg |
Flash Point: | 158 °C |
Hazard Symbols: | Xn,N |
Risk Codes: | 22-50 |
Safety: | 61 |
PSA: | 58.56000 |
LogP: | 2.20550 |
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The Carbamic acid, N-(4-hydroxycyclohexyl)-, 1, 1-dimethylethyl ester, with the CAS registry number of 224309-64-2, is also known as N-4-Boc-aminocyclohexanol. It belongs to the product categories of N-Boc; Amines; Blocks. This chemical's molecular formula is C11H21NO3 and molecular weight is 215.29. What's more, its systematic name is tert-Butyl (4-hydroxycyclohexyl)carbamate.
Physical properties about Carbamic acid, N-(4-hydroxycyclohexyl)-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.7; (6)ACD/BCF (pH 7.4): 7.7; (7)ACD/KOC (pH 5.5): 150.01; (8)ACD/KOC (pH 7.4): 150.01; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 57.93 cm3; (15)Molar Volume: 201.9 cm3; (16)Polarizability: 22.96×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 158 °C; (20)Enthalpy of Vaporization: 67.31 kJ/mol; (21)Boiling Point: 337.7 °C at 760 mmHg; (22)Vapour Pressure: 7.02E-06 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NC1CCC(O)CC1
(2) InChI: InChI=1/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
(3) InChIKey: DQARDWKWPIRJEH-UHFFFAOYAS