(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid supplier

Name
(4-N-(BENZHYDRYLOXYCARBONYL)CYTOSINE)-1-ACETIC ACID
EINECS
CAS No. 186046-78-6
Article Data3
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₂₀H₁₇N₃O₅
Boiling Point
Molecular Weight 379.372
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1(2H)-Pyrimidineacetic acid, 4-[[(diphenylmethoxy)carbonyl]amino]-2-oxo-;
PSA 110.52000
LogP 2.73900

(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid Specification

The (4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid, with the CAS registry number 186046-78-6, is also known as 1(2H)-Pyrimidineacetic acid, 4-[[(diphenylmethoxy)carbonyl]amino]-2-oxo-. This chemical's molecular formula is C₂₀H₁₇N₃O₅ and molecular weight is 379.37. Its systematic name is called [4-{[(diphenylmethoxy)carbonyl]amino}-2-oxopyrimidin-1(2H)-yl]acetic acid.

Physical properties of (4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.635; (11)Molar Refractivity: 101.934 cm³; (12)Molar Volume: 284.707 cm³; (13)Surface Tension: 55.66 dyne/cm; (14)Density: 1.332 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(\C=C/N1CC(O)=O)NC(=O)OC(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C20H17N3O5/c24-17(25)13-23-12-11-16(21-19(23)26)22-20(27)28-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,24,25)(H,21,22,26,27)
(3)InChIKey: VPWKJWIKZUONJA-UHFFFAOYAH

Product Name

(4-N-(BENZHYDRYLOXYCARBONYL)CYTOSINE)-1-ACETIC ACID

(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid Specification

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