Carbamic acid,N-(4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester supplier

Name
4-N-BOC-AMINO-CYCLOHEXANOL
EINECS
CAS No. 224309-64-2
Article Data21
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point 170.0 to 174.0 °C
Formula C₁₁H₂₁NO₃
Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 215.293
Flash Point 158 °C
Transport Information
Appearance
Safety 61
Risk Codes 22-50
Molecular Structure
Hazard Symbols Xn,N
Synonyms tert-Butyl (4-hydroxycyclohexyl)carbamate;4-[(tert-Butoxycarbonyl)amino]cyclohexanol;
PSA 58.56000
LogP 2.20550

Carbamic acid,N-(4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester Specification

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^-24cm³; (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

Product Name

4-N-BOC-AMINO-CYCLOHEXANOL

Carbamic acid,N-(4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester Specification

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