Product Name

  • Name

    Cycloguanil

  • EINECS
  • CAS No. 516-21-2
  • Density 1.4g/cm3
  • Solubility
  • Melting Point 146°
  • Formula C11H14 Cl N5
  • Boiling Point 400.7°Cat760mmHg
  • Molecular Weight 251.719
  • Flash Point 196.1°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 516-21-2 (Cycloguanil)
  • Hazard Symbols
  • Synonyms s-Triazine,4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl- (6CI,8CI); 1-(4-Chlorophenyl)-4,6-diamino-1,2-dihydro-2,2-dimethyl-1,3,5-triazine;1-(p-Chlorophenyl)-1,2-dihydro-2,2-dimethyl-4,6-diamino-s-triazine;4,6-Diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-s-triazine; Chlorazin;Chlorazine; Chlorguanide triazine; Cycloguanil; Cycloguanyl; D 20; M 10580;TCl; WR 5473
  • PSA 75.00000
  • LogP 2.86690

Cycloguanyl Chemical Properties

Molecule structure of Cycloguanyl (CAS NO.516-21-2):

IUPAC Name: 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine 
Molecular Weight: 251.71536 g/mol
Molecular Formula: C11H14ClN5 
Density: 1.4 g/cm3 
Boiling Point: 400.7 °C at 760 mmHg 
Flash Point: 196.1 °C
Index of Refraction: 1.667
Molar Refractivity: 66.79 cm3
Molar Volume: 179.4 cm3
Polarizability: 26.48×10-24 cm3
Surface Tension: 53.8 dyne/cm 
Enthalpy of Vaporization: 65.16 kJ/mol
Vapour Pressure: 1.25E-06 mmHg at 25 °C
XLogP3: 1
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 251.093773
MonoIsotopic Mass: 251.093773
Topological Polar Surface Area: 80
Heavy Atom Count: 17
Complexity: 355
Canonical SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C
InChI: InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKey of Cycloguanyl (CAS NO.516-21-2): QMNFFXRFOJIOKZ-UHFFFAOYSA-N

Cycloguanyl Toxicity Data With Reference

1.    

mmo-omi 100 µg/plate AACHAX 12,84,77
2.    

ipr-rat LD50:98 mg/kg

     DIPHAH    Dissertationes Pharmaceuticae. 10 (1958),81.

Cycloguanyl Safety Profile

Poison by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Cycloguanyl Specification

 Cycloguanyl (CAS NO.516-21-2) is also called 1-(p-Chlorophenyl)-4,6-diamino-2,2-dimethyl-1,2-dihydro-s-triazine ; 1-p-Chlorophenyl-1,2-dihydro-2,2-dimethyl-4,6-diamino-s-triazine ; 4-26-00-01176 (Beilstein Handbook Reference) ; 4-Amino-6-p-chloroanilino-1,2-dwuhydro-2,2-dwumethylo-1,3,5-trojazyna ; 4-Amino-6-p-chloroanilino-1,2-dwuhydro-2,2-dwumethylo-1,3,5-trojazyna [Polish] ; BRN 0229760 ; CGT ; Chlorguanide triazine ; Cycloguanil ; Cycloguanilum ; UNII-26RM326WVN ; WR 5473 .

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