1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate
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1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate
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CAS No:
195314-59-1
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Formula:
C11H22N2O2
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Chemical Name:
1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate
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Synonyms:
Carbamic acid,N-(4-aminocyclohexyl)-,1,1-dimethylethyl ester;Carbamic acid,(4-aminocyclohexyl)-,1,1-dimethylethyl ester;1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate;tert-Butyl 4-aminocyclohexylcarbamate;(4-Aminocyclohexyl)carbamic acid tert-butyl ester;tert-Butyl N-(4-aminocyclohexyl)carbamate;N-tert-Butoxycarbonylcis-1,4-cyclohexanediamine
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CAS No:
Characteristics
64.4
1.3
White Solid
1.02±0.1 g/cm3(Predicted)
322.1±31.0 °C(Predicted)
92.7±23.7 °C
1.486
Safety Information
8
UN 3077 9 / PGIII
3
51/53
61
Xi,N
P273
H411
|H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H411 (92.68%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory.
1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate Use and Manufacturing
To a solution of 1.17g (10.24mmol) of trans-1, 4-diaminocyclohexane in 60 ml water/THF (1:1) 2.25g (10.31 mmol) of di-t-butyldicarbonate at 0 °C was added. The mixture was stirred for 1 h at room temperature. After evaporation of the organic solvent, the aqueous phase was extracted with ethyl acetate twice. Combined organic phase was extracted with 0.5N hydrochloric acid. Then the aqueous phase was adjusted to pH 10 with 1 N NaOH solution and extracted with ethyl acetate. The organic phase was washed with brine and dried over anhydrous magnesium sulfate. The solvent was evaporated to yield 138 mg (6.3percent) of the title compound. MS 299.4 (M+H+DMSOd6)+
Computed Properties
Molecular Weight:214.30
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.168127949
Monoisotopic Mass:214.168127949
Topological Polar Surface Area:64.4
Heavy Atom Count:15
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate
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