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435342-15-7

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Basic Information
CAS No.: 435342-15-7
Name: 2-AMINOMETHYL-5-PHENYL-FURAN-3-CARBOXYLIC ACID METHYL ESTER
Molecular Structure:
Molecular Structure of 435342-15-7 (2-AMINOMETHYL-5-PHENYL-FURAN-3-CARBOXYLIC ACID METHYL ESTER)
Formula: C9H14NO3
Molecular Weight: 184.2118
Synonyms: 2-Furancarboxylicacid, 4-(aminomethyl)-5-methyl-, ethyl ester,hydrochloride (9CI);
Melting Point: 188 °C
Boiling Point: 297.4 °C at 760 mmHg
Flash Point: 133.7 °C
PSA: 65.46000
LogP: 2.89220
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Specification

The [5-(Ethoxycarbonyl)-2-methylfuran-3-yl]methanaminium, with the CAS registry number 435342-15-7, is also known as ZINC00376441. This chemical's molecular formula is C9H14NO3 and molecular weight is 184.2118. Its IUPAC name is called (5-ethoxycarbonyl-2-methylfuran-3-yl)methylazanium.

Physical properties of [5-(Ethoxycarbonyl)-2-methylfuran-3-yl]methanaminium: (1)ACD/LogP: 0.85; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Flash Point: 133.7 °C; (6)Enthalpy of Vaporization: 53.72 kJ/mol; (7)Boiling Point: 297.4 °C at 760 mmHg; (8)Vapour Pressure: 0.00135 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=C(O1)C)C[NH3+]
(2)InChI: InChI=1S/C9H13NO3/c1-3-12-9(11)8-4-7(5-10)6(2)13-8/h4H,3,5,10H2,1-2H3/p+1
(3)InChIKey: SGGJBKHPJFZEQX-UHFFFAOYSA-O