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Phenylguanidine carbonate salt

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Name

Phenylguanidine carbonate salt

EINECS 229-729-4
CAS No. 14018-90-7 Density N/A
PSA 119.43000 LogP 2.08740
Solubility N/A Melting Point 149-153 °C
Formula C8H11N3O3 Boiling Point 428.8 °C at 760 mmHg
Molecular Weight 135.17 Flash Point 213.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14018-90-7 (Phenylguanidine carbonate salt) Hazard Symbols N/A
Synonyms

Guanidine,phenyl Carbonate;N-Phenyl guanidine Carbonate;

 

Phenylguanidine carbonate salt Specification

The Phenylguanidine carbonate salt with the cas number 14018-90-7 is also called N-Phenyl guanidine Carbonate. Its molecular formula is C8H11N3O3. This chemical belongs to the following product categories: (1)Guanidines; (2)Nitrogen Compounds; (3)Organic Building Blocks. It is white crystal. It can be used for producting pesticide intermediate.

The properties of the chemical are: (1)# of Rule of 5 Violations: 1  ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 119.43Å2; (10)Enthalpy of Vaporization: 72.1 kJ/mol; (11)Vapour Pressure: 4.1×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N=C(N)Nc1ccccc1.OC(O)=O
(2)InChI: InChI=1/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)
(3)InChIKey: XDSYAIICRRZSJX-UHFFFAOYAQ

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