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CAS No.: | 152120-55-3 |
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Name: | N,N'-BIS-Z-1-GUANYLPYRAZOLE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C20H18N4O4 |
Molecular Weight: | 378.387 |
Synonyms: | Carbamicacid, [[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-,phenylmethyl ester (9CI);1-[N,N'-Bis(benzyloxycarbonyl)amidino]pyrazole;1H-Pyrazole-N,N'-bis(benzyloxycarbonyl)carboxamidine;1-[N1,N2-Bis(benzyloxycarbonyl)amidino]pyrazole;Dibenzyl (1H-pyrazol-1-ylmethylylidene)biscarbamate;N,N'-Di-Z-1H-pyrazole-1-carbamidine; |
Density: | 1.25 g/cm3 |
Melting Point: | 90-96 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 94.81000 |
LogP: | 3.74130 |
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The Carbamic acid,N-[[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-, phenylmethylester, with the CAS registry number 152120-55-3, is also known as N,N'-Di-Z-1H-pyrazole-1-carbamidine. It belongs to the product categories of Guanidine Protection/Guanidinylation; Peptide Synthesis; Specialty Synthesis. This chemical's molecular formula is C20H18N4O4 and molecular weight is 378.38. What's more, its systematic name is dibenzyl (1H-pyrazol-1-ylmethylylidene)biscarbamate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants.
Physical properties of Carbamic acid,N-[[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-, phenylmethylester are: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 397.44; (6)ACD/BCF (pH 7.4): 17.71; (7)ACD/KOC (pH 5.5): 2109.27; (8)ACD/KOC (pH 7.4): 93.98; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 86.02 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 104.67 cm3; (15)Molar Volume: 301.3 cm3; (16)Polarizability: 41.49×10-24cm3; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.25 g/cm3.
Uses of Carbamic acid,N-[[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-, phenylmethylester: it can be used to produce 4--1-naphthol at the ambient temperature. It will need reagent N,N-diisopropylethylamine and solvent tetrahydrofuran. The yield is about 62%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NC(=NC(=O)OCc2ccccc2)n3nccc3
(2)InChI: InChI=1/C20H18N4O4/c25-19(27-14-16-8-3-1-4-9-16)22-18(24-13-7-12-21-24)23-20(26)28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,25,26)
(3)InChIKey: NRBUVVTTYMTSKM-UHFFFAOYAH