trans-4-Boc-Aminocyclohexanol supplier

Name
BOC-TRANS-4-AMINOCYCLOHEXANOL
EINECS
CAS No. 111300-06-2
Article Data29
CAS DataBase
Density 1.066 g/cm³
Solubility
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
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;
PSA 58.56000
LogP 2.20550

trans-4-Boc-Aminocyclohexanol Specification

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

Product Name

BOC-TRANS-4-AMINOCYCLOHEXANOL

trans-4-Boc-Aminocyclohexanol Specification

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