Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
trans-4-Boc-Aminocyclohexanol |
EINECS | N/A |
CAS No. | 111300-06-2 | Density | 1.066 g/cm3 |
PSA | 58.56000 | LogP | 2.20550 |
Solubility | N/A | Melting Point |
172-173 °C |
Formula | C11H21NO3 | Boiling Point | 337.714 °C at 760 mmHg |
Molecular Weight | 215.293 | Flash Point | 158.044 °C |
Transport Information | N/A | Appearance | White to off-white powder |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
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; |
Article Data | 29 |
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