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| CAS No.: | 166168-16-7 |
|---|---|
| Name: | TRANS-4-(BOC-AMINOMETHYL)-CYCLOHEXANEMETHANAMINE |
| Molecular Structure: | |
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| Formula: | C13H26N2O2 |
| Molecular Weight: | 242.362 |
| Synonyms: | Carbamicacid, [[4-(aminomethyl)cyclohexyl]methyl]-, 1,1-dimethylethyl ester, trans-;Carbamic acid, [[trans-4-(aminomethyl)cyclohexyl]methyl]-, 1,1-dimethylethylester (9CI);tert-Butyl [(trans-4-(aminomethyl)cyclohexyl)methyl]carbamate;trans-tert-Butyl [(4-(aminomethyl)cyclohexyl)methyl]carbamate;trans-4-(Bocaminomethyl)-cyclohexanemethanamine; |
| Density: | 0.98 g/cm3 |
| Boiling Point: | 358.5 °C at 760 mmHg |
| Flash Point: | 170.6 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 64.35000 |
| LogP: | 3.36740 |
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Specification
The CAS register number of Carbamicacid, N-[[trans-4-(aminomethyl)cyclohexyl]methyl]-, 1,1-dimethylethyl ester is 166168-16-7. It also can be called as tert-Butyl [(trans-4-(aminomethyl)cyclohexyl)methyl]carbamate and the IUPAC name about this chemical is tert-butyl 2-amino-2-[4-(aminomethyl)cyclohexyl]acetate. The molecular formula about this chemical is C13H26N2O2 nd the molecular weight is 242.357740.
Physical properties about Carbamicacid, N-[[trans-4-(aminomethyl)cyclohexyl]methyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.25; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 64.35Å2; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 69.09 cm3; (12)Molar Volume: 247.1 cm3; (13)Polarizability: 27.39x10-24cm3; (14)Surface Tension: 35.8 dyne/cm; (15)Enthalpy of Vaporization: 60.39 kJ/mol; (16)Boiling Point: 358.5 °C at 760 mmHg; (17)Vapour Pressure: 2.54E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NC[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CC1
(2)InChI: InChI=1/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10-,11-
(3)InChIKey: NYXOBVVHJZENCO-XYPYZODXBW
(4)Std. InChI: InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10-,11-
(5)Std. InChIKey: NYXOBVVHJZENCO-XYPYZODXSA-N