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CAS No.: | 72784-42-0 |
---|---|
Name: | Methyl 1-aminocyclopropanecarboxylate hydrochloride |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C5H9NO2.HCl |
Molecular Weight: | 151.593 |
Synonyms: | Cyclopropanecarboxylicacid, 1-amino-, methyl ester, hydrochloride (9CI);1-Aminocyclopropane-1-carboxylicacid methyl ester hydrochloride;1-Aminocyclopropanecarboxylic acid methylester hydrochloride;ACC methyl ester HCl;Methyl1-aminocyclopropanecarboxylate hydrochloride; |
Melting Point: | 185-186 °C |
Boiling Point: | 136.4 °C at 760 mmHg |
Flash Point: | 11.8 °C |
Appearance: | White Crystalline Solid |
Hazard Symbols: | Xi |
PSA: | 52.32000 |
LogP: | 0.35100 |
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The CAS register number of Cyclopropanecarboxylicacid, 1-amino-, methyl ester, hydrochloride (1:1) is 72784-42-0. It also can be called as 1-Aminocyclopropane-1-carboxylic acid methyl ester hydrochloride and the systematic name about this chemical is 1-(methoxycarbonyl)cyclopropanaminium chloride. The molecular formula about this chemical is C5H9NO2.HCl and the molecular weight is 151.59. This chemical can be used in pharmaceutical compositions.
Physical properties about Cyclopropanecarboxylicacid, 1-amino-, methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: -0.72; (2)ACD/LogD (pH 5.5): -1.35; (3)ACD/LogD (pH 7.4): -0.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.29; (7)ACD/KOC (pH 7.4): 9.29; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3Å2; (12)Flash Point: 11.8 °C; (13)Enthalpy of Vaporization: 37.38 kJ/mol; (14)Boiling Point: 136.4 °C at 760 mmHg; (15)Vapour Pressure: 7.4 mmHg at 25°C.
Uses of Cyclopropanecarboxylicacid, 1-amino-, methyl ester, hydrochloride (1:1): it can be used to produce 1-(benzylidene-amino)-cyclopropanecarboxylic acid methyl ester with benzaldehyde at ambient temperature. This reaction will need reagent Et3N and solvent CHCl3. The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(OC)C1([NH3+])CC1
(2)InChI: InChI=1/C5H9NO2.ClH/c1-8-4(7)5(6)2-3-5;/h2-3,6H2,1H3;1H
(3)InChIKey: CHSDCWKLSHPKFY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H9NO2.ClH/c1-8-4(7)5(6)2-3-5;/h2-3,6H2,1H3;1H
(5)Std. InChIKey: CHSDCWKLSHPKFY-UHFFFAOYSA-N