5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE
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5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE
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CAS No:
105263-08-9
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Formula:
C13H12N2O3
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Chemical Name:
5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE
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Synonyms:
5-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile;5-acetyl-2-amino-4-(furan-2-yl)-6-methyl-4H-pyran-3-carbonitrile;5-Acetyl-2-amino-4-(2-furyl)-6-methyl-4H-pyran-3-carbonitrile;4H-Pyran-3-carbonitrile,5-acetyl-2-amino-4-(2-furanyl)-6-methyl-;ACMC-20e9mx;Maybridge1_000142;MixCom1_000274;ARONIS020717;CHEMBL1377070;SCHEMBL13856692
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CAS No:
5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE Basic Attributes
244.25
244.08500
DTXSID70337234
2932999099
Characteristics
89.2
2.65058
1.29±0.1 g/cm3(Predicted)
176-180 °C(lit.)
491.6±45.0 °C(Predicted)
251.1ºC
1.584
8.23E-10mmHg at 25°C
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
26-36
Xn
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:244.25
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:244.08479225
Monoisotopic Mass:244.08479225
Topological Polar Surface Area:89.2
Heavy Atom Count:18
Complexity:496
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-ACETYL-2-AMINO-4-(2-FURANYL)-6-METHYL-4H-PYRAN-3-CARBONITRILE
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