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53461-72-6

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Basic Information
CAS No.: 53461-72-6
Name: ETHYL 3-IMINO-3-PHENOXYPROPANOATE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 53461-72-6 (ETHYL 3-IMINO-3-PHENOXYPROPANOATE HYDROCHLORIDE)
Formula: C11H13 N O3 . Cl H
Molecular Weight: 243.69
Synonyms: Propanoicacid, 3-imino-3-phenoxy-, ethyl ester, hydrochloride (9CI); Ethyl 3-imino-3-phenoxypropionatehydrochloride; Ethyl b-phenoxy-b-iminopropionate monohydrochloride
Boiling Point: 311.7oC at 760 mmHg
Flash Point: 142.3oC
PSA: 59.38000
LogP: 2.89760
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  • ETHYL 3-IMINO-3-PHENOXYPROPANOATE HYDROCHLORIDE CAS NO.53461-72-6

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Chemistry

Molecular Structure of Ethyl 3-imino-3-phenoxypropionate hydrochloride (CAS NO.53461-72-6):

Systematic Name: Ethyl 3-imino-3-phenoxypropanoate hydrochloride
SMILES: Cl.N=C(Oc1ccccc1)CC(=O)OCC
InChI: InChI=1/C11H13NO3.ClH/c1-2-14-11(13)8-10(12)15-9-6-4-3-5-7-9;/h3-7,12H,2,8H2,1H3;1H
InChIKey: ZOVLHBKOIZXEOK-UHFFFAOYAW 
Empirical Formula: C11H14ClNO3
Molecular Weight: 243.6868
Nominal Mass: 243
Average Mass: 243.6868
Monoisotopic Mass: 243.066221 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6 
Mol File: 53461-72-6.mol
Flash Point: 142.3 °C
Enthalpy of Vaporization: 56.36 kJ/mol
Boiling Point: 311.7 °C at 760 mmHg
Vapour Pressure: 0.00041 mmHg at 25 °C

Specification

 Ethyl 3-imino-3-phenoxypropionate hydrochloride (CAS NO.53461-72-6), its Synonyms are Ethyl 3-imino-3-phenoxypropanoate hydrochloride (1:1) ; Propanoic acid, 3-imino-3-phenoxy-, ethyl ester, hydrochloride (1:1) .