4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid
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![4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c34643b8c355403e931dd276fae8f459.png "4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid")
4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid
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CAS No:
130309-46-5
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Formula:
C12H21NO4
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Chemical Name:
4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-;4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid;4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid;4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]cyclohexanecarboxylic acid;4-(Boc-amino)cyclohexanecarboxylic acid;4-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylic acid
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CAS No:
Characteristics
75.6
1.7
1.12
396.7±31.0 °C(Predicted)
193.7±24.8 °C
1.494
Soluble in methanol and tetrahydrofuran(THF).
2.12E-07mmHg at 25°C
Safety Information
3
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:243.30
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:243.14705815
Monoisotopic Mass:243.14705815
Topological Polar Surface Area:75.6
Heavy Atom Count:17
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid
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