Benzonitrile,4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]- supplier

Name
4-(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile
EINECS
CAS No. 105365-76-2
Density 1.39 g/cm³
Solubility
Melting Point 260-262 °C (decomp)(Solv: ethanol (64-17-5))
Formula C₁₄H₁₂N₄O
Boiling Point 483.6 °C at 760 mmHg
Molecular Weight 252.275
Flash Point 246.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Cyanoanilino)-6,7-dihydro-7-hydroxy-5H-cyclopenta[d]pyrimidine;RS 8359;
PSA 81.83000
LogP 2.14448

Benzonitrile,4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]- Specification

This chemical is called Benzonitrile,4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]-, and its systematic name is 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile. With the molecular formula of C₁₄H₁₂N₄O, its molecular weight is 252.27. The CAS registry number of this chemical is 105365-76-2.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.08; (6)ACD/BCF (pH 7.4): 4.16; (7)ACD/KOC (pH 5.5): 94.66; (8)ACD/KOC (pH 7.4): 96.48; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.04 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 68.62 cm³; (15)Molar Volume: 181.1 cm³; (16)Polarizability: 27.2×10^-24cm³; (17)Surface Tension: 82.9 dyne/cm; (18)Density: 1.39 g/cm³; (19)Flash Point: 246.3 °C; (20)Enthalpy of Vaporization: 78.87 kJ/mol; (21)Boiling Point: 483.6 °C at 760 mmHg; (22)Vapour Pressure: 3.64E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccc(cc1)Nc2ncnc3c2CCC3O
2.InChI: InChI=1/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18)
3.InChIKey: YKTSVZRWKHWINV-UHFFFAOYAG

Product Name

4-(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile

Benzonitrile,4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]- Specification

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