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CAS No.: | 1192-21-8 |
---|---|
Name: | 1-Methyl-1H-pyrazol-5-ylamine |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C4H7N3 |
Molecular Weight: | 97.1197 |
Synonyms: | 1-Methyl-5-aminopyrazole;5-Amino-1-Methyl Pyrazole;5-Amino-1-methylpyrazole;2-Methylpyrazol-3-amine;NSC76510;AC1Q40EQ; |
EINECS: | 688-112-1 |
Density: | 1.22 g/cm3 |
Melting Point: | 74-76 °C |
Boiling Point: | 231.414 °C at 760 mmHg |
Flash Point: | 93.756 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 43.84000 |
LogP: | 0.58350 |
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The 1-Methyl-5-aminopyrazole with CAS registry number of 1192-21-8 is also known as 5-Amino-1-methylpyrazole. The IUPAC name is 2-Methylpyrazol-3-amine. It belongs to product categories of Amines; Azoles; Blocks; Pyrazole series; Pyrazole; Nucleotides and Nucleosides; Heterocyclic; Nucleotide. In addition, the formula is C4H7N3 and the molecular weight is 97.12. This chemical is a white to light yellow crystal powder.
Physical properties about 1-Methyl-5-aminopyrazole 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): 2.939; (5)ACD/KOC (pH 7.4): 3.074; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 43.84Å2; (10)Index of Refraction: 1.601; (11)Molar Refractivity: 27.165 cm3; (12)Molar Volume: 79.334 cm3; (13)Polarizability: 10.769×10-24cm3; (14)Surface Tension: 46.809 dyne/cm; (15)Density: 1.224 g/cm3; (16)Flash Point: 93.756 °C; (17)Enthalpy of Vaporization: 46.808 kJ/mol; (18)Boiling Point: 231.414 °C at 760 mmHg; (19)Vapour Pressure: 0.062 mmHg at 25 °C.
Uses of 1-Methyl-5-aminopyrazole: it is used an interesting synthetic intermediate.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: Cn1c(ccn1)N
2. InChI: InChI=1/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
3. InChIKey: JESRNIJXVIFVOV-UHFFFAOYAY
4. Std. InChI: InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
5. Std. InChIKey: JESRNIJXVIFVOV-UHFFFAOYSA-N