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CAS No.: | 3020-81-3 |
---|---|
Name: | Butyramidine hydrochloride |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C4H11ClN2 |
Molecular Weight: | 122.598 |
Synonyms: | Butanimidamide,monohydrochloride (9CI);Butyramidine, hydrochloride (6CI,7CI);Butyramidine,monohydrochloride (8CI);Butanimidamide hydrochloride; |
Density: | 1.59g/cm3 |
Melting Point: | 94-96oC |
Boiling Point: | 117.2 °C at 760 mmHg |
Flash Point: | 24.7 °C |
Appearance: | white powder-like solid |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 49.87000 |
LogP: | 2.32450 |
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This chemical is called Butanimidamide, hydrochloride, and its CAS registry number is 3020-81-3. With the molecular formula of C4H11ClN2, its molecular weight is 122.60. Additionally, its product category is Organic Intermediates. It's soluble in water, methanol, insoluble in acetone, etc, easily to absorb moisture.
Other characteristics of the Butanimidamide, hydrochloride can be summarised as followings: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/LogD (pH 7.4): -2.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.25 Å2; (13)Flash Point: 24.7 °C; (14)Enthalpy of Vaporization: 35.54 kJ/mol; (15)Boiling Point: 117.2 °C at 760 mmHg; (16)Vapour Pressure: 17.6 mmHg at 25°C.
Uses of this chemical: The Butanimidamide, hydrochloride could react with 2-oxo-cycloheptanecarboxylic acid ethyl ester, and obtain the 2-propyl-3,5,6,7,8,9-hexahydro-cycloheptapyrimidin-4-one. This reaction needs the reagent of NaOEt, and the solvent of ethanol. The yield is 38 %. In addition, this reaction should be taken for 4 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].[NH2+]=C(/N)CCC
2.InChI: InChI=1/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
3.InChIKey: STYCVEYASXULRN-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04045, |