Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4-Diaminopyrimidine-5-carboxaldehyde |
EINECS | N/A |
CAS No. | 20781-06-0 | Density | 1.5 g/cm3 |
PSA | 94.89000 | LogP | 0.61590 |
Solubility | N/A | Melting Point |
274-276 °C |
Formula | C5H6N4O | Boiling Point | 468.3 °C at 760 mmHg |
Molecular Weight | 138.129 | Flash Point | 237 °C |
Transport Information | N/A | Appearance | Yellow solid |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2,4-Diaminopyrimidine-5-carboxaldehyde;2,6-Diamino-5-pyrimidinecarboxaldehyde;NSC 211353;2,4-Diamino-5-formylpyrimidine; |
Article Data | 12 |
The 5-Pyrimidinecarboxaldehyde,2,4-diamino-, with CAS registry number 20781-06-0, belongs to the following product categories: (1)Pyrimidine; (2)Building Blocks. It has the systematic name of 2,4-diaminopyrimidine-5-carbaldehyde. And the chemical formula of this chemical is C5H6N4O.
Physical properties of 5-Pyrimidinecarboxaldehyde,2,4-diamino-: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.91; (8)ACD/KOC (pH 7.4): 33.55; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 37.66 cm3; (15)Molar Volume: 92.1 cm3; (16)Polarizability: 14.92×10-24cm3; (17)Surface Tension: 101.4 dyne/cm; (18)Density: 1.499 g/cm3; (19)Flash Point: 237 °C; (20)Enthalpy of Vaporization: 73.05 kJ/mol; (21)Boiling Point: 468.3 °C at 760 mmHg; (22)Vapour Pressure: 6.05E-09 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Pyrimidinecarboxaldehyde,2,4-diamino- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(nc1N)N
(2)InChI: InChI=1/C5H6N4O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H,(H4,6,7,8,9)
(3)InChIKey: GPWNWKWQOLEVEQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H6N4O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H,(H4,6,7,8,9)
(5)Std. InChIKey: GPWNWKWQOLEVEQ-UHFFFAOYSA-N