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| CAS No.: | 14018-90-7 |
|---|---|
| Name: | Phenylguanidine carbonate salt |
| Molecular Structure: | |
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| Formula: | C8H11N3O3 |
| Molecular Weight: | 135.17 |
| Synonyms: | Guanidine,phenyl Carbonate;N-Phenyl guanidine Carbonate; |
| EINECS: | 229-729-4 |
| Melting Point: | 149-153 °C |
| Boiling Point: | 428.8 °C at 760 mmHg |
| Flash Point: | 213.1 °C |
| PSA: | 119.43000 |
| LogP: | 2.08740 |
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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