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1-Aminocyclopropane-1-carboxylic acid hydrochloride

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Name

1-Aminocyclopropane-1-carboxylic acid hydrochloride

EINECS N/A
CAS No. 68781-13-5 Density N/A
PSA 63.32000 LogP 1.06460
Solubility N/A Melting Point 231 °C (dec.)(lit.)
Formula C4H7NO2.HCl Boiling Point 228.9 °C at 760 mmHg
Molecular Weight 137.566 Flash Point 92.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 68781-13-5 (1-Aminocyclopropane-1-carboxylic acid hydrochloride) Hazard Symbols IrritantXi
Synonyms

Cyclopropanecarboxylicacid, 1-amino-, hydrochloride (6CI,9CI);1-Amino-1-cyclopropanecarboxylic acidhydrochloride;1-Aminocyclopropanecarboxylic acid hydrochloride;1-Carboxycyclopropanaminium chloride;

Article Data 15

1-Aminocyclopropane-1-carboxylic acid hydrochloride Specification

The 1-Aminocyclopropane-1-carboxylic acid hydrochloride is an organic compound with the formula C4H7NO2.HCl. The IUPAC name of this chemical is 6,7-dimethoxy-3H-2-benzofuran-1-one. With the CAS registry number 68781-13-5, it is also named as cyclopropanecarboxylic acid, 1-amino-, hydrochloride (1:1). Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-Aminocyclopropane-1-carboxylic acid hydrochloride are: (1)ACD/LogP: -1.18; (2)ACD/LogD (pH 5.5): -3.65; (3)ACD/LogD (pH 7.4): -3.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Flash Point: 92.2 °C; (13)Enthalpy of Vaporization: 51.28 kJ/mol; (14)Boiling Point: 228.9 °C at 760 mmHg; (15)Vapour Pressure: 0.0256 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-acetylamino-cyclopropanecarboxylic acid methyl ester. This reaction will need reagent hydrochloric acid and solvent H2O by heating. The yield is about 90%.



Uses of 1-Aminocyclopropane-1-carboxylic acid hydrochloride: it can be used to produce benzyloxycarbonyl-1-aminocyclopropane-1-carboxylic acid at ambient temperature. It will need reagent NaHCO3 and solvent tetrahydrofuran, H2O with reaction time of 16 hours. The yield is about 43%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are 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(O)C1(N)CC1
(2)InChI: InChI=1/C4H7NO2.ClH/c5-4(1-2-4)3(6)7;/h1-2,5H2,(H,6,7);1H
(3)InChIKey: WTZRHZRMLYNBRM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H7NO2.ClH/c5-4(1-2-4)3(6)7;/h1-2,5H2,(H,6,7);1H
(5)Std. InChIKey: WTZRHZRMLYNBRM-UHFFFAOYSA-N

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