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| CAS No.: | 612511-81-6 |
|---|---|
| Name: | (1-Methyl-1H-pyrazol-3-yl)methylamine |
| Molecular Structure: | |
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| Formula: | C5H9N3 |
| Molecular Weight: | 111.147 |
| Synonyms: | (1-Methyl-1H-pyrazol-3-yl)methanamine;3-Aminomethyl-1-methyl-1H-pyrazole; |
| Density: | 1.16 g/cm3 |
| Boiling Point: | 219.8 °C at 760 mmHg |
| Flash Point: | 86.7 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 23-26-36/37/39-45 |
| PSA: | 43.84000 |
| LogP: | 0.57910 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called 1H-Pyrazole-3-methanamine, 1-methyl-, and its systematic name is 1-(1-methyl-1H-pyrazol-3-yl)methanamine. With the molecular formula of C5H9N3, its molecular weight is 111.15. The CAS registry number of this chemical is 612511-81-6.
Other characteristics of the 1H-Pyrazole-3-methanamine, 1-methyl- can be summarised as followings: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.42; (4)ACD/LogD (pH 7.4): -1.72; (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): 1.26; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 31.77 cm3; (15)Molar Volume: 95.5 cm3; (16)Polarizability: 12.59×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 86.7 °C; (20)Enthalpy of Vaporization: 45.62 kJ/mol; (21)Boiling Point: 219.8 °C at 760 mmHg; (22)Vapour Pressure: 0.117 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: n1c(ccn1C)CN
2.InChI: InChI=1/C5H9N3/c1-8-3-2-5(4-6)7-8/h2-3H,4,6H2,1H3
3.InChIKey: SSXDUSOCSNXBPO-UHFFFAOYAR