4,4-Diethoxy-N,N-dimethyl-1-butanamine
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4,4-Diethoxy-N,N-dimethyl-1-butanamine
structure -
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CAS No:
1116-77-4
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Formula:
C10H23NO2
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Chemical Name:
4,4-Diethoxy-N,N-dimethyl-1-butanamine
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Synonyms:
1-Butanamine,4,4-diethoxy-N,N-dimethyl-;Butyraldehyde,4-(dimethylamino)-,diethyl acetal;4,4-Diethoxy-N,N-dimethyl-1-butanamine;4,4-Diethoxy-N,N-dimethylbutylamine;4,4-Diethoxy-N,N-dimethylbutanamine;4-(Dimethylamino)butanal diethyl acetal;1-(N,N-Dimethylamino)-4,4-diethoxybutane
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CAS No:
Characteristics
21.7
1.59
Colorless to light-yellowish lucent liquid
0.844 g/mL at 25 °C(lit.)
92-93 °C
158 °F
n 20/D 1.421(lit.)
0.0649mmHg at 25°C
Safety Information
UN 3267 8 / PGIII
3
R41
26-36/37/39-16-37
Xi,C
P280-P305 + P351 + P338 + P310
H318
|Danger|H315 (14.29%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,4-Diethoxy-N,N-dimethyl-1-butanamine Use and Manufacturing
4,4-Diethoxy-N,N-dimethyl-1-butanamine is used in the preparation of N,N-Dimethyltryptamines, 5-HT1D receptor agonists, for medicinal treatments such as antimigraine drugs(Sumatriptan, Rizatriptan, Almotriptan, Zolmitriptan). intermediate for Sumatriptan, Rizatriptan, Almotriptan, Zolmitriptan
Computed Properties
Molecular Weight:189.30
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:189.172878976
Monoisotopic Mass:189.172878976
Topological Polar Surface Area:21.7
Heavy Atom Count:13
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,4-Diethoxy-N,N-dimethyl-1-butanamine
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