IUPAC Name: [(E)-[amino-(cyanoamino)methylidene]amino]-ethylmercury
Empirical Formula: C4H8HgN4
Molecular Weight: 312.7231g/mol
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 314.045522
MonoIsotopic Mass: 314.045522
Topological Polar Surface Area: 74.2
Heavy Atom Count: 9
Formal Charge: 0
Complexity: 144
Flash Point: 92.8 °C
Enthalpy of Vaporization: 46.65 kJ/mol
Boiling Point: 229.8 °C at 760 mmHg
Vapour Pressure: 0.068 mmHg at 25°C
Canonical SMILES: CC[Hg]N=C(N)NC#N
Isomeric SMILES: CC[Hg]/N=C(\N)/NC#N
InChI: InChI=1S/C2H3N4.C2H5.Hg/c3-1-6-2(4)5;1-2;/h(H3-,4,5,6);1H2,2H3;/q-1;;+1
InChIKey: PUTXPJWVHQQJIY-UHFFFAOYSA-N
Structure of Ethylmercuric dicyandiamide (CAS NO.63869-03-4):
1. | ipr-mus LD50:19 mg/kg | OCHRAI Occupational Health Review. 15 (1963),5. |
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Hg.
ACGIH TLV: TWA 0.01. STEL 0.03 mg/m3 (skin)
Ethylmercuric dicyandiamide , its cas register number is 63869-03-4. It also can be called Ethylmercury dicyandiamide ;
Ethylmerkuridikyandiamid ; Mercury, (3-cyanoguanidino)ethyl- .
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