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| CAS No.: | 24867-26-3 |
|---|---|
| Name: | 2,4-DIAMINO-6-PIPERIDINOPYRIMIDINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H15N5 |
| Molecular Weight: | 193.252 |
| Synonyms: | 6-piperidin-1-ylpyrimidine-2,4-diamine;2,4-Diamino-6-piperidinopyrimidine; |
| Density: | 1.265 g/cm3 |
| Melting Point: | 124-126°C |
| Boiling Point: | 495.6 °C at 760 mmHg |
| Flash Point: | 253.5 °C |
| Appearance: | off-white cyrstalline solid |
| PSA: | 81.06000 |
| LogP: | 1.85870 |
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Specification
This chemical is called 2,4-Diamino-6-piperidinopyrimidine, and its systematic name is 6-(piperidin-1-yl)pyrimidine-2,4-diamine. With the molecular formula of C9H15N5, its molecular weight is 193.25. The CAS registry number of this chemical is 24867-26-3, and its product categories are Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides. Additionally, this chemical is off-white cyrstalline solid.
Other characteristics of the 2,4-Diamino-6-piperidinopyrimidine can be summarised as followings: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.21; (4)ACD/LogD (pH 7.4): -0.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.05; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.5 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 55.72 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 22.09×10-24cm3; (17)Surface Tension: 73.9 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 253.5 °C; (20)Enthalpy of Vaporization: 76.32 kJ/mol; (21)Boiling Point: 495.6 °C at 760 mmHg; (22)Vapour Pressure: 5.83E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1c(nc(N)cc1N2CCCCC2)N
2.InChI: InChI=1/C9H15N5/c10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)
3.InChIKey: IPFIEHIRBSTAKA-UHFFFAOYAH