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| Name |
Cycloguanyl |
EINECS | N/A |
| CAS No. | 516-21-2 | Density | 1.4g/cm3 |
| PSA | 75.00000 | LogP | 2.86690 |
| Solubility | N/A | Melting Point |
146° |
| Formula | C11H14 Cl N5 | Boiling Point | 400.7°Cat760mmHg |
| Molecular Weight | 251.719 | Flash Point | 196.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
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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