| Weight | 177.203 g/mol |
|---|---|
| Formula | C10H11NO2 |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 2 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 4 |
4-(allylamino)benzoic acid (53624-18-3)
53624-18-3
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 53624-18-3
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SMILESC=CCNC1=CC=C(C=C1)C(=O)O
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InChIKeyKAAMYCLKDWDNNY-UHFFFAOYSA-N
Suppliers
Safety
Alternate Names
Estimated Properties
| Boiling Point | 301.36 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 323.12 C | EPI Suite |
| Density | 1.2 g/cm3 | EPA T.E.S.T. |
| Flash Point | 180.41 C | EPA T.E.S.T. |
| Melting Point | 101.19 C | EPI Suite |
| Water Solubility | 550 mg/L | EPA T.E.S.T. |
| Water Solubility | 298.05 mg/L | EPI Suite |
External Links
Synthesis
Reactant
+
dimethyl sulfide
(Corey-Kim oxidation of secondary alcohols)
Reactant
+
1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide
(Nicolaou IBX dehydrogenation)
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methyl 4-(methylamino)benzoate
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ethyl 4-formamidobenzoate
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methyl 4-[(chloroacetyl)amino]benzoate
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4-(4-methylpiperazin-1-yl)benzoic acid hydrochloride
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ethyl 4-[(chloroacetyl)amino]benzoate
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methyl 4-[(3-chloropropanoyl)amino]benzoate
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ethyl 4-(carbamoylamino)benzoate
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Tetracaine hydrochloride
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ethyl 3-amino-4-(ethylamino)benzoate
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3,4-Diaminobenzoic acid
(619-05-6)
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2-(Ethylamino)benzoic acid
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4-[(cyclobutylcarbonyl)amino]benzoic acid
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4-Acetylamino-2-amino-benzoic acid
(43134-76-5)
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(354813-14-2)
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(67093-75-8)
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(94-31-5)
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21245-01-2
(21245-01-2)
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586-91-4
(586-91-4)
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1-(3-Carboxyphenyl)-2-thiourea
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ethyl 4-[(trifluoroacetyl)amino]benzoate
(24568-14-7)
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2-(propylamino)benzoic acid
(21716-81-4)
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3-pyrrolidin-1-ylbenzoic acid
(72548-79-9)
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2-(isopropylamino)benzoic acid
(50817-45-3)
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4-(allylamino)benzoic acid
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