N-Boc-1,4-cyclohexanediamine supplier

Name
N-Boc-1,4-cyclohexanediamine
EINECS
CAS No. 195314-59-1
Article Data12
CAS DataBase
Density 1.029 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂N₂O₂
Boiling Point 322.073 °C at 760 mmHg
Molecular Weight 214.308
Flash Point 148.585 °C
Transport Information
Appearance
Safety 61
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (4-aminocyclohexyl)-, 1,1-dimethylethyl ester (9CI);(4-Aminocyclohexyl)carbamic acid tert-butyl ester;tert-Butyl4-aminocyclohexylcarbamate;
PSA 78.34000
LogP 2.32750

N-Boc-1,4-cyclohexanediamine Specification

The Carbamic acid,N-(4-aminocyclohexyl)-, 1,1-dimethylethyl ester with the CAS number 195314-59-1 is also called (4-Aminocyclohexyl)carbamic acid tert-butyl ester. The IUPAC name is tert-butyl N-(4-aminocyclohexyl)carbamate. Its molecular formula is C₁₁H₂₂N₂O₂. The product category is Pharmacetical. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Carbamic acid,N-(4-aminocyclohexyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 60.02 cm³; (15)Molar Volume: 208.2 cm³; (16)Polarizability: 23.79×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Enthalpy of Vaporization: 56.39 kJ/mol; (19)Vapour Pressure: 0.000286 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC1CCC(N)CC1
(2)InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
(3)InChIKey: FEYLUKDSKVSMSZ-UHFFFAOYAU

Product Name

N-Boc-1,4-cyclohexanediamine

N-Boc-1,4-cyclohexanediamine Specification

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