Benzamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- supplier

Name
N-(1,6-DIHYDRO-6-OXOPURIN-2-YL)-BENZAMIDE
EINECS
CAS No. 21323-87-5
Density 1.61 g/cm³
Solubility
Melting Point
Formula C₁₂H₉N₅O₂
Boiling Point
Molecular Weight 255.236
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzamide,N-(1,6-dihydro-6-oxopurin-2-yl)- (8CI);Benzamide,N-(6,7-dihydro-6-oxo-1H-purin-2-yl)- (9CI);N2-Benzoylguanine;N-(1,6-Dihydro-6-oxopurin-2-yl)-benzamide;
PSA 95.28000
LogP -1.26230

Benzamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- Specification

The Benzamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-, with the CAS registry number 21323-87-5, is also known as N-(1,6-Dihydro-6-oxopurin-2-yl)-benzamide. This chemical's molecular formula is C₁₂H₉N₅O₂ and molecular weight is 255.2322. What's more, its systematic name is N-(6-Oxo-6,9-dihydro-5H-purin-2-yl)benzamide.

Physical properties about Benzamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.32; (7)ACD/KOC (pH 7.4): 19.17; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 95.28 Å²; (12)Index of Refraction: 1.791; (13)Molar Refractivity: 67.17 cm³; (14)Molar Volume: 158.4 cm³; (15)Polarizability: 26.62×10^-24cm³; (16)Surface Tension: 73.2 dyne/cm; (17)Density: 1.61 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC=2\N=C1\N\C=N/C1C(=O)N=2)c3ccccc3
(2)InChI: InChI=1/C12H9N5O2/c18-10(7-4-2-1-3-5-7)16-12-15-9-8(11(19)17-12)13-6-14-9/h1-6,8H,(H2,13,14,15,16,17,18,19)
(3)InChIKey: KVSXSVLUBYBPPJ-UHFFFAOYAQ

Product Name

N-(1,6-DIHYDRO-6-OXOPURIN-2-YL)-BENZAMIDE

Benzamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- Specification

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