1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (1:1)
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1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (1:1)
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CAS No:
26487-67-2
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Formula:
C8H16ClN.ClH
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Chemical Name:
1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (1:1)
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Synonyms:
1H-Azepine,1-(2-chloroethyl)hexahydro-,hydrochloride (1:1);1H-Azepine,1-(2-chloroethyl)hexahydro-,hydrochloride;Hexamethylenimine,1-(2-chloroethyl)-,hydrochloride;β-(Hexahydro-1H-azepin-1-yl)ethyl chloride hydrochloride;1-(2-Chloroethyl)hexahydro-1H-azepine hydrochloride;2-(Hexamethyleneimino)ethyl chloride hydrochloride;1-(2-Chloroethyl)hexamethyleneimine hydrochloride;1-(2-Chloroethyl)azepane hydrochloride;1-(2-Chloroethyl)-azacycloheptane hydrochloride;N-(2-Chloroethyl)hexahydro-1H-azepine hydrochloride;83028-42-6
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CAS No:
1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (1:1) Basic Attributes
198.13
197.073807
3680388
247-733-4
29339900
Safety Information
III
6.1
2811
20/22-36/37-39-52-22-36/38-20
22-26-36/37/39-51-20/21
CM3185000
Xi,Xn
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, 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.
1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (1:1) Use and Manufacturing
To the oily substanceAdd 165.9gIsopropanol, Stir, Slowly through the dry hydrogen chloride gas, Until the solution system pH ≤ 2.5, Stop the passage of gas, Up to 80 ° C, After stirring for 30 min, Adding 2.8 g of activated carbon, After stirring for 30 min, Filter, The filtrate is cooled to 0-5 ° CCrystallization 8hRear, Filter, Dried to give the product Ν- (2-chloroethyl) hexamethyleneimine hydrochloride 53. lg, Yield 84.5percentDetection of Ν- (2-chloroethyl) hexamethyleneimine hydrochlorideContent of 98.6percent.
Computed Properties
Molecular Weight:198.13
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:197.0738049
Monoisotopic Mass:197.0738049
Topological Polar Surface Area:4.4
Heavy Atom Count:11
Complexity:77.3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (1:1)
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