Product Name

  • Name

    Butyramidine hydrochloride

  • EINECS
  • CAS No. 3020-81-3
  • Article Data7
  • CAS DataBase
  • Density 1.59g/cm3
  • Solubility
  • Melting Point 94-96oC
  • Formula C4H11ClN2
  • Boiling Point 117.2 °C at 760 mmHg
  • Molecular Weight 122.598
  • Flash Point 24.7 °C
  • Transport Information
  • Appearance white powder-like solid
  • Safety 26
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 3020-81-3 (Butyramidine hydrochloride)
  • Hazard Symbols Xi
  • Synonyms Butanimidamide,monohydrochloride (9CI);Butyramidine, hydrochloride (6CI,7CI);Butyramidine,monohydrochloride (8CI);Butanimidamide hydrochloride;
  • PSA 49.87000
  • LogP 2.32450

Butyramidine hydrochloride Specification

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,

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