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CAS No.: | 111300-06-2 |
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Name: | BOC-TRANS-4-AMINOCYCLOHEXANOL |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C11H21NO3 |
Molecular Weight: | 215.293 |
Synonyms: | Carbamicacid, (4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester, trans-;Carbamic acid,(trans-4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester (9CI);(trans)-4-Hydroxycyclohexylcarbamic acid tert-butyl ester;tert-Butyl(trans-4-hydroxycyclohexyl)carbamate;tert-ButylN-(trans-4-hydroxycyclohexyl)carbamate;trans-4-(tert-Butoxycarbonylamino)cyclohexanol; |
Density: | 1.066 g/cm3 |
Melting Point: | 172-173 °C |
Boiling Point: | 337.714 °C at 760 mmHg |
Flash Point: | 158.044 °C |
Appearance: | White to off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 58.56000 |
LogP: | 2.20550 |
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The Carbamic acid,N-(trans-4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester with the CAS number 111300-06-2 is also called Carbamicacid, (4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester, trans-. The systematic name is tert-butyl (trans-4-hydroxycyclohexyl)carbamate. Its molecular formula is C11H21NO3. This chemical belongs to the following product categories: (1)Pharmacetical; (2)API intermediates.
The properties of the Carbamic acid,N-(trans-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: 58.56 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 57.93 cm3; (15)Molar Volume: 201.9 cm3; (16)Polarizability: 22.96×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Enthalpy of Vaporization: 67.31 kJ/mol; (19)Vapour Pressure: 7.02×10-6 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)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)/t8-,9-
(3)InChIKey: DQARDWKWPIRJEH-KYZUINATBM