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CAS No.: | 14160-93-1 |
---|---|
Name: | 4-AMINO-6-CHLORO-PYRIMIDINE-5-CARBALDEHYDE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C5H4ClN3O |
Molecular Weight: | 157.559 |
Synonyms: | 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde; |
EINECS: | 238-005-7 |
Density: | 1.548 g/cm3 |
Melting Point: | >300 °C |
Boiling Point: | 355.899 °C at 760 mmHg |
Flash Point: | 169.042 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43-36/37/38 |
Safety: | 36/37-36/37/39-26 |
PSA: | 68.87000 |
LogP: | 1.10590 |
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The 4-Amino-6-chloropyrimidine-5-carboxaldehyde with cas registry number of 14160-93-1, has the systematic name of 4-amino-6-chloropyrimidine-5-carbaldehyde. And its IUPAC name is the same one. Besides this, it is also called 5-pyrimidinecarboxaldehyde, 4-amino-6-chloro-.
Physical properties about this chemical are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.75; (6)ACD/BCF (pH 7.4): 5.76; (7)ACD/KOC (pH 5.5): 121.8; (8)ACD/KOC (pH 7.4): 121.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.09 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 38.31 cm3; (15)Molar Volume: 101.7 cm3; (16)Polarizability: 15.19×10-24cm3; (17)Surface Tension: 77.8 dyne/cm; (18)Enthalpy of Vaporization: 60.11 kJ/mol; (19)Vapour Pressure: 3.03E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(Cl)ncnc1N
(2)InChI: InChI=1/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
(3)InChIKey: GOJNFUXEBVBARW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
(5)Std. InChIKey: GOJNFUXEBVBARW-UHFFFAOYSA-N