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Name |
1H-Pyrazolo[4,3-d]pyrimidine,7-chloro-1,3-dimethyl- |
EINECS | N/A |
CAS No. | 89239-18-9 | Density | 1.513g/cm3 |
PSA | 43.60000 | LogP | 1.32510 |
Solubility | N/A | Melting Point |
87-90 °C |
Formula | C7H7ClN4 | Boiling Point | 309.953 °C at 760 mmHg |
Molecular Weight | 182.61028 | Flash Point | 141.255 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Chloro-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine; |
The 1H-Pyrazolo[4,3-d]pyrimidine,7-chloro-1,3-dimethyl-, with CAS registry number 89239-18-9, has the systematic name of 7-chloro-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine. Its molecular weight is 182.61028. And the chemical formula of this chemical is C7H7ClN4.
Physical properties of 1H-Pyrazolo[4,3-d]pyrimidine,7-chloro-1,3-dimethyl-: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 52; (8)ACD/KOC (pH 7.4): 52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 47.052 cm3; (15)Molar Volume: 120.655 cm3; (16)Polarizability: 18.653×10-24cm3; (17)Surface Tension: 50.881 dyne/cm; (18)Density: 1.513 g/cm3; (19)Flash Point: 141.255 °C; (20)Enthalpy of Vaporization: 52.878 kJ/mol; (21)Boiling Point: 309.953 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc2c1n(C)nc2C
(2)InChI: InChI=1/C7H7ClN4/c1-4-5-6(12(2)11-4)7(8)10-3-9-5/h3H,1-2H3
(3)InChIKey: UDAJKLRGHKQVTN-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H7ClN4/c1-4-5-6(12(2)11-4)7(8)10-3-9-5/h3H,1-2H3
(5)Std. InChIKey: UDAJKLRGHKQVTN-UHFFFAOYSA-N