4,5-Dimethyl-3-isoxazolamine
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4,5-Dimethyl-3-isoxazolamine
structure -
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CAS No:
13999-39-8
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Formula:
C5H8N2O
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Chemical Name:
4,5-Dimethyl-3-isoxazolamine
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Synonyms:
3-Isoxazolamine,4,5-dimethyl-;Isoxazole,3-amino-4,5-dimethyl-;4,5-Dimethyl-3-isoxazolamine;4,5-Dimethyl-3-aminoisoxazole;3-Amino-4,5-dimethylisoxazole;(4,5-Dimethylisoxazol-3-yl)amine
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CAS No:
Characteristics
52
0.8
Off-white to beige crystalline powder
1.118±0.06 g/cm3(Predicted)
115-117 °C
250.0±35.0 °C(Predicted)
105.0±25.9 °C
1.521
0.022mmHg at 25°C
Safety Information
NONH for all modes of transport
22
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
4,5-Dimethyl-3-isoxazolamine Use and Manufacturing
4,5-Dimethyl-3-isoxazolamine is an isoxazole derivative used in the preparation of a varitey of biologically active compounds such as selective ETA receptor antagonists.
Computed Properties
Molecular Weight:112.13
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:112.063662883
Monoisotopic Mass:112.063662883
Topological Polar Surface Area:52
Heavy Atom Count:8
Complexity:86.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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