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2-Propenoic acid,3-amino-3-ethoxy-, ethyl ester, hydrochloride (1:1) (34570-16-6)

Identification
Name:2-Propenoic acid,3-amino-3-ethoxy-, ethyl ester, hydrochloride (1:1)
Synonyms:2-Propenoicacid, 3-amino-3-ethoxy-, ethyl ester, hydrochloride (9CI);Acrylic acid,3-amino-3-ethoxy-, ethyl ester, hydrochloride (8CI);Ethyl3-amino-3-ethoxyacrylate hydrochloride;Ethyl 3-amino-3-ethoxypropenoatehydrochloride;Ethyl b-amino-b-ethoxyacrylatehydrochloride;[1-Ethoxy-2-(ethoxycarbonyl)vinyl]ammonium chloride;b-Amino-b-ethoxyacrylic acid ethyl esterhydrochloride;b-Ethoxy-b-aminoacrylic acid ethyl esterhydrochloride;
CAS:34570-16-6
Molecular Formula: C7H13NO3.HCl
Molecular Weight: 195.64
InChI: InChI=1/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h5H,3-4,8H2,1-2H3;1H/b6-5-;
Molecular Structure: (C7H13NO3.HCl) 2-Propenoicacid, 3-amino-3-ethoxy-, ethyl ester, hydrochloride (9CI);Acrylic acid,3-amino-3-ethoxy-,...
Properties
Melting Point: 103-105 °C(lit.)
Flash Point: 118.7°C
Boiling Point: 261.7°Cat760mmHg
Density:g/cm3
Specification:

The Ethyl 3-amino-3-ethoxyacrylate hydrochloride, its cas register number is 34570-16-6. It also can be called as 2-Propenoic acid,3-amino-3-ethoxy-, ethyl ester, hydrochloride (1:1) and the Systematic name about this chemical is (1E)-1,3-diethoxy-3-oxoprop-1-en-1-aminium chloride. It belongs to the following product categories, such as C6 to C7, Carbonyl Compounds, Esters and so on.

Physical properties about Ethyl 3-amino-3-ethoxyacrylate hydrochloride are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 35.53Å2; (5)Flash Point: 118.7 °C; (6)Enthalpy of Vaporization: 49.95 kJ/mol; (7)Boiling Point: 261.7 °C at 760 mmHg; (8)Vapour Pressure: 0.0114 mmHg at 25°C

Uses of Ethyl 3-amino-3-ethoxyacrylate hydrochloride: it can be used to react with malononitrile to produce 3-amino-2-cyano-4-ethoxycarbonylcrotononitrile. It will need reagent (C2H5)3N and solvent CHCl3 with reaction time of 1 hour(s). The yield is about 64 % .

When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin. When you are contacting with it, wear suitable gloves and eye/face protection. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(OCC)\C=C(\OCC)[NH3+]
(2)InChI: InChI=1/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h5H,3-4,8H2,1-2H3;1H/b6-5+;
(3)InChIKey: JYGHNNMPKVPTKF-IPZCTEOABY
(4)Std. InChI: InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h5H,3-4,8H2,1-2H3;1H/b6-5+;
(5)Std. InChIKey: JYGHNNMPKVPTKF-IPZCTEOASA-N

Flash Point: 118.7°C
Safety Data
Hazard Symbols Xi: Irritant
 

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