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CAS No.: | 676491-02-4 |
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Name: | METHYL-(2H-PYRAZOL-3-YLMETHYL)-AMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H9N3 |
Molecular Weight: | 111.147 |
Synonyms: | 1H-Pyrazole-3-methanamine, N-methyl-;N-Methyl-1-(1H-pyrazol-5-yl)methanamine;Methyl(1H-pyrazol-3-ylmethyl)amine; |
Density: | 1.083 g/cm3 |
Boiling Point: | 243.642 °C at 760 mmHg |
Flash Point: | 101.151 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 40.71000 |
LogP: | 0.52000 |
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The 1H-Pyrazole-5-methanamine, N-methyl-, with the CAS registry number 676491-02-4, is also known as Methyl(1H-pyrazol-3-ylmethyl)amine. This chemical's molecular formula is C5H9N3 and molecular weight is 111.15. What's more, its systematic name is N-methyl-1-(1H-pyrazol-5-yl)methanamine.
Physical properties of 1H-Pyrazole-5-methanamine, N-methyl- are: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.71 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 31.921 cm3; (13)Molar Volume: 102.613 cm3; (14)Polarizability: 12.655×10-24cm3; (15)Surface Tension: 44.873 dyne/cm; (16)Density: 1.083 g/cm3; (17)Flash Point: 101.151 °C; (18)Enthalpy of Vaporization: 48.067 kJ/mol; (19)Boiling Point: 243.642 °C at 760 mmHg; (20)Vapour Pressure: 0.032 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNCC1=CC=NN1
(2)InChI: InChI=1S/C5H9N3/c1-6-4-5-2-3-7-8-5/h2-3,6H,4H2,1H3,(H,7,8)
(3)InChIKey: FAFFFBUYETUJAQ-UHFFFAOYSA-N