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| CAS No.: | 177583-27-6 |
|---|---|
| Name: | tert-Butyl (trans-4-aminomethylcyclohexyl)carbamate |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H24N2O2 |
| Molecular Weight: | 228.335 |
| Synonyms: | Carbamicacid, [4-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, trans-;Carbamicacid, [trans-4-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester (9CI);(trans-4-Aminomethylcyclohexyl)carbamic acid tert-butyl ester;N-[trans-4-(Aminomethyl)cyclohexyl]carbamic acid tert-butyl ester;tert-Butyltrans-4-(aminomethyl)cyclohexylcarbamate;trans-4-tert-Butoxycarbonylaminocyclohexanemethanamine; |
| Density: | 1.01g/cm3 |
| Boiling Point: | 342.4 °C at 760 mmHg |
| Flash Point: | 160.9 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 64.35000 |
| LogP: | 3.11980 |
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Specification
The tert-Butyl (trans-4-aminomethylcyclohexyl)carbamate with the CAS number 177583-27-6 is also called Carbamic acid,N-[trans-4-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester. The systematic name is tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate. Its molecular formula is C12H24N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the tert-Butyl (trans-4-aminomethylcyclohexyl)carbamate are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 64.35Å2; (7)Index of Refraction: 1.487; (8)Molar Refractivity: 64.65 cm3; (9)Molar Volume: 224.5 cm3; (10)Polarizability: 25.63×10-24cm3; (11)Surface Tension: 37.8 dyne/cm; (12)Enthalpy of Vaporization: 58.62 kJ/mol; (13)Vapour Pressure: 7.54×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)CN
(2)InChI: InChI=1/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-
(3)InChIKey: NVQFOBONHIXDOC-MGCOHNPYBP