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| CAS No.: | 673475-74-6 |
|---|---|
| Name: | 3-Amino-4-cyclopropyl-1H-pyrazole |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H9N3 |
| Molecular Weight: | 123.158 |
| Synonyms: | 3-Amino-4-cyclopropyl-1H-pyrazole; |
| Density: | 1.35 g/cm3 |
| Boiling Point: | 320.668 °C at 760 mmHg |
| Flash Point: | 173.723 °C |
| PSA: | 54.70000 |
| LogP: | 1.45050 |
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Specification
The 3-Amino-4-cyclopropyl-1H-pyrazole is an organic compound with the formula C6H9N3. The IUPAC name of this chemical is 4-cyclopropyl-1H-pyrazol-5-amine. With the CAS registry number 673475-74-6, it is also named as 1H-pyrazol-3-amine, 4-cyclopropyl-. The product's category is API Intermediates.
Physical properties about 3-Amino-4-cyclopropyl-1H-pyrazole are: (1)ACD/LogP: 0.19; (2)ACD/LogD (pH 7.4): 0.183; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17.381; (6)ACD/KOC (pH 7.4): 29.829; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.7 Å2; (11)Index of Refraction: 1.694; (12)Molar Refractivity: 35.04 cm3; (13)Molar Volume: 91.25 cm3; (14)Polarizability: 13.891×10-24cm3; (15)Surface Tension: 80.233 dyne/cm; (16)Density: 1.35 g/cm3; (17)Flash Point: 173.723 °C; (18)Enthalpy of Vaporization: 56.236 kJ/mol; (19)Boiling Point: 320.668 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c([nH]n1)N)C2CC2
(2)InChI: InChI=1/C6H9N3/c7-6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
(3)InChIKey: MVVJHFJQYGHJMW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H9N3/c7-6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
(5)Std. InChIKey: MVVJHFJQYGHJMW-UHFFFAOYSA-N