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876890-38-9

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Basic Information
CAS No.: 876890-38-9
Name: 2-PROPYL-PYRIMIDINE-5-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 876890-38-9 (2-PROPYL-PYRIMIDINE-5-CARBALDEHYDE)
Formula: C8H10N2O
Molecular Weight: 150.18
Synonyms: ASISCHEM C63386;ASINEX-REAG BAS 11212160;2-PROPYL-PYRIMIDINE-5-CARBALDEHYDE;2-PROPYL-5-PYRIMIDINECARBOXALDEHYDE;5-Pyrimidinecarboxaldehyde, 2-propyl-;2-propylpyrimidine-5-carbaldehyde(SALTDATA: FREE)
Density: 1.097 g/cm3
Boiling Point: 244.7 °C at 760 mmHg
Flash Point: 105.1 °C
Hazard Symbols: Xi
Risk Codes: 43
Safety: 36/37
PSA: 42.85000
LogP: 1.24160
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Specification

The 2-Propylpyrimidine-5-carbaldehyde with the cas number 876890-38-9 is also called 5-pyrimidinecarboxaldehyde, 2-propyl-. Its molecular formula is C8H10N2O. This chemical is irritant. When you are using this chemical, please be cautious about it.

The properties of the chemical are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 41.05; (8)ACD/KOC (pH 7.4): 41.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.85 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 43.37 cm3; (15)Molar Volume: 136.8 cm3; (16)Polarizability: 17.19×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Enthalpy of Vaporization: 48.18 kJ/mol; (19)Vapour Pressure: 0.0299 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(nc1)CCC
(2)InChI: InChI=1/C8H10N2O/c1-2-3-8-9-4-7(6-11)5-10-8/h4-6H,2-3H2,1H3
(3)InChIKey: GLQPRYHEYJHVJX-UHFFFAOYAC