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CAS No.: | 2208-08-4 |
---|---|
Name: | ETHYL BUTYRIMIDATE HYDROCHLORIDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H14ClNO |
Molecular Weight: | 151.636 |
Synonyms: | 1-Ethoxybutan-1-iminium chloride;Ethyl butanimidate hydrochloride;1-Ethoxybutylideneazanium chloride; |
Melting Point: | 74-79 °C |
Boiling Point: | 114.4 °C at 760 mmHg |
Flash Point: | 23 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 33.08000 |
LogP: | 2.70200 |
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The Butyrimidicacid,ethylester,hydrochloride, with the CAS registry number of 2208-08-4, is also known as Ethyl butanimidate hydrochloride. The molecular formula of this chemical is C6H14ClNO and its molecular weight is 151.63446. What's more, its IUPAC name is 1-Ethoxybutylideneazanium chloride. In addition, it must be stored at 2-8 °C.
Physical properties about Butyrimidicacid,ethylester,hydrochloride are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.32; (8)ACD/KOC (pH 7.4): 12.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.24 Å2; (13)Flash Point: 23 °C; (14)Enthalpy of Vaporization: 33.82 kJ/mol; (15)Boiling Point: 114.4 °C at 760 mmHg; (16)Vapour Pressure: 23.7 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. 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(=[NH2+])CCC)CC
(2) InChI: InChI=1/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H
(3) InChIKey: YGBFFMMKLWVKGU-UHFFFAOYAO