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CAS No 24697-74-3 , 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate

  • Name: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate
  • Synonyms: SureCN2685309;24697-74-3; Ambotz24697-74-3; AC1L4PH9; CHEMBL1290284;4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate; 4-Guanidino-n-butyl syringate; Leonurine hydrochloride; SureCN2685302;
  • CAS Registry Number:
  • Melting Point: 191-193ºC
  • Flash Point: 275.3°C
  • Boiling Point: 531.6°Cat760mmHg
  • Density: 1.29g/cm3
  • Flash Point: 275.3°C
  • Molecular Weight: 311.33364
  • InchiKey: WNGSUWLDMZFYNZ-UHFFFAOYSA-N
  • InChI: InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-
    14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
  • Molecular Formula: C14H21N3O5
  • Molecular Structure:CAS No:24697-74-3 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate

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References of 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate
Title: Leonurine
CAS Registry Number: 24697-74-3
CAS Name: 4-Hydroxy-3,5-dimethoxybenzoic acid 4-[(aminoiminomethyl)amino]butyl ester
Synonyms: 4-hydroxy-3,5-dimethoxybenzoic acid d-guanidinobutyl ester; syringic acid d-guanidinobutyl ester; [4-(4-hydroxy-3,5-dimethoxybenzoyloxy)butyl]guanidine; 4-guanidino-1-butanol syringate
Molecular Formula: C14H21N3O5
Molecular Weight: 311.33
Percent Composition: C 54.01%, H 6.80%, N 13.50%, O 25.70%
Literature References: Isoln from leaves of Leonurus sibiricus L., Labiatae: Kubota, Nakajima, C.A. 25, 771 (1931). Structure: Goto et al., Tetrahedron Lett. 1962, 545. Revised structure: Kishi et al., ibid. 1968, 637. Structure and synthesis: Sugiura et al., Tetrahedron 25, 5155 (1969). Alternate synthesis: K. F. Cheng et al., Experientia 35, 571 (1979). Biological effect: H. W. Yeung et al., Planta Med. 31, 51 (1977).
 
Derivative Type: Hydrochloride monohydrate
Molecular Formula: C14H21N3O5.HCl.H2O
Molecular Weight: 365.81
Percent Composition: C 45.97%, H 6.61%, N 11.49%, O 26.24%, Cl 9.69%
Properties: mp 193-194°. pKa 7.9 in water.
Melting point: mp 193-194°
pKa: pKa 7.9 in water