-
Name
tert-Butyl (trans-4-aminomethylcyclohexyl)carbamate
- EINECS
- CAS No. 177583-27-6
- Article Data4
- CAS DataBase
- Density 1.01g/cm3
- Solubility Slightly soluble in water.
- Melting Point
- Formula C12H24N2O2
- Boiling Point 342.4 °C at 760 mmHg
- Molecular Weight 228.335
- Flash Point 160.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 64.35000
- LogP 3.11980
tert-Butyl (trans-4-aminomethylcyclohexyl)carbamate 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
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