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Name |
1H-Pyrazol-4-amine,1,3-dimethyl- |
EINECS | N/A |
CAS No. | 64517-88-0 | Density | 1.17 g/cm3 |
PSA | 43.84000 | LogP | 0.89190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H9N3 | Boiling Point | 231.5 °C at 760 mmHg |
Molecular Weight | 111.147 | Flash Point | 93.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,3-Dimethyl-4-aminopyrazole;4-Amino-1,3-dimethyl-1H-pyrazole;4-Amino-1,3-dimethylpyrazole;1,3-Dimethyl-1H-pyrazol-4-amine; |
Article Data | 5 |
The 1H-Pyrazol-4-amine,1,3-dimethyl-, with the CAS registry number 64517-88-0, is also known as 4-Amino-1,3-dimethyl-1H-pyrazole. This chemical's molecular formula is C5H9N3 and molecular weight is 111.15. What's more, its systematic name is 1,3-Dimethyl-1H-pyrazol-4-amine and it belongs to the product categories of Chemical Amines; Amines; Bases & Related Reagents; Heterocycles; Nucleotides.
Physical properties of 1H-Pyrazol-4-amine,1,3-dimethyl- are: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.06; (8)ACD/KOC (pH 7.4): 10.48; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 31.58 cm3; (15)Molar Volume: 94.6 cm3; (16)Polarizability: 12.52×10-24 cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 93.8 °C; (20)Enthalpy of Vaporization: 46.82 kJ/mol; (21)Boiling Point: 231.5 °C at 760 mmHg; (22)Vapour Pressure: 0.062 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(N)cn1C)C
(2)InChI: InChI=1/C5H9N3/c1-4-5(6)3-8(2)7-4/h3H,6H2,1-2H3
(3)InChIKey: AXLKRXWNAFFPDB-UHFFFAOYSA-N