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| CAS No.: | 126748-58-1 |
|---|---|
| Name: | 1H-Pyrazol-3-amine,5-propyl-(9CI) |
| Molecular Structure: | |
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| Formula: | C6H11N3 |
| Molecular Weight: | 125.17 |
| Synonyms: | 5-Propyl-1H-pyrazol-3-amine;3-Propyl-1H-pyrazol-5-amine;1H-Pyrazol-5-amine, 3-propyl-; |
| Density: | 1.112 g/cm3 |
| Melting Point: | 37-40°C |
| Boiling Point: | 316.818 °C at 760 mmHg |
| Flash Point: | 171.259 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 54.70000 |
| LogP: | 1.52560 |
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Specification
The 1H-Pyrazol-3-amine,5-propyl-, with the CAS registry number 126748-58-1, is also known as 5-Propyl-1H-pyrazol-3-amine. It belongs to the product categories of Pyrazole; Amineprimary. This chemical's molecular formula is C6H11N3 and molecular weight is 125.17. What's more, its systematic name is 3-propyl-1H-pyrazol-5-amine. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 1H-Pyrazol-3-amine,5-propyl- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.7 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 37.196 cm3; (15)Molar Volume: 112.584 cm3; (16)Polarizability: 14.745×10-24cm3; (17)Surface Tension: 52.631 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 171.259 °C; (20)Enthalpy of Vaporization: 55.818 kJ/mol; (21)Boiling Point: 316.818 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1cc(N)nn1
(2)Std. InChI: InChI=1S/C6H11N3/c1-2-3-5-4-6(7)9-8-5/h4H,2-3H2,1H3,(H3,7,8,9)
(3)Std. InChIKey: SNRYBQUHJRIMJO-UHFFFAOYSA-N