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CAS No.: | 400877-05-6 |
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Name: | 4-Aminomethyl-1-methylpyrazole |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H9N3 |
Molecular Weight: | 111.147 |
Synonyms: | C-(1-Methyl-1H-pyrazol-4-yl)methylamine;[(1-Methyl-1H-pyrazol-4-yl)methyl]amine; |
Density: | 1.163 g/cm3 |
Boiling Point: | 219.8 °C at 760 mmHg |
Flash Point: | 86.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 43.84000 |
LogP: | 0.57910 |
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The 4-Aminomethyl-1-methylpyrazole with the CAS number 400877-05-6 is also called C-(1-Methyl-1H-pyrazol-4-yl)methylamine. The IUPAC name is (1-methylpyrazol-4-yl)methanamine. Its molecular formula is C5H9N3. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 21.06 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 31.77 cm3; (12)Molar Volume: 95.5 cm3; (13)Polarizability: 12.59×10-24cm3; (14)Surface Tension: 44 dyne/cm; (15)Enthalpy of Vaporization: 45.62 kJ/mol; (16)Vapour Pressure: 0.117 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(cn1C)CN
(2)InChI: InChI=1/C5H9N3/c1-8-4-5(2-6)3-7-8/h3-4H,2,6H2,1H3
(3)InChIKey: KFTRXTSNTQSGNE-UHFFFAOYAD