Carbamic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester (9CI)
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Carbamic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester (9CI)
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CAS No:
454451-26-4
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Formula:
C11H22N2O2
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Chemical Name:
Carbamic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester (9CI)
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Synonyms:
Carbamic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester (9CI);Carbamic acid, N-(hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester;N-(Hexahydro-1H-azepin-3-yl)carbaMic acid tert-butyl ester;tert-butyl azepan-3-ylcarbaMate;CarbaMic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-diMethylethyl ester;(Hexahydro-1H-azepin-3-yl)-carbamic acid 1,1-dimethylethyl ester;N-(Hexahydro-1H-azepin-3-yl)-carbamic acid 1,1-dimethylethyl ester;3-Boc-amino-azepane
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CAS No:
Carbamic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester (9CI) Basic Attributes
214.30
214.168127949
DTXSID50609582
2933990090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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.
Computed Properties
Molecular Weight:214.30
XLogP3:1.4
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:50.4
Heavy Atom Count:15
Complexity:211
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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