Basic information
- Name:
1H-Pyrazol-3-amine,5-butyl-
- CAS No.:
56367-26-1
- Molecular Structure:
- Formula:
- C7H13N3
- Molecular Weight:
- 139.201
- Synonyms:
- 3-Amino-5-butyl-1H-pyrazole;
- Density:
- 1.078 g/cm3
- Boiling Point:
- 324 °C at 760 mmHg
- Flash Point:
- 175.9 °C
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Specification
The 1H-Pyrazol-3-amine,5-butyl-, with CAS registry number 56367-26-1, has the systematic name of 5-butyl-1H-pyrazol-3-amine. Besides this, it is also called 3-Butyl-1H-pyrazol-5-amine. And the chenmical formula of this chemical is C7H13N3.
Physical properties of 1H-Pyrazol-3-amine,5-butyl-: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.16; (6)ACD/BCF (pH 7.4): 3.95; (7)ACD/KOC (pH 5.5): 74.26; (8)ACD/KOC (pH 7.4): 92.94; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.7 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 41.82 cm3; (15)Molar Volume: 129 cm3; (16)Polarizability: 16.58×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.078 g/cm3; (19)Flash Point: 175.9 °C; (20)Enthalpy of Vaporization: 56.6 kJ/mol; (21)Boiling Point: 324 °C at 760 mmHg; (22)Vapour Pressure: 0.000252 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCc1cc(N)nn1
(2)InChI: InChI=1/C7H13N3/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4H2,1H3,(H3,8,9,10)
(3)InChIKey: KLEIWKYPWDZGCV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H13N3/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4H2,1H3,(H3,8,9,10)
(5)Std. InChIKey: KLEIWKYPWDZGCV-UHFFFAOYSA-N
