Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrazol-3-amine,4-phenyl- |
EINECS | N/A |
CAS No. | 5591-70-8 | Density | 1.238 g/cm3 |
PSA | 54.70000 | LogP | 2.24010 |
Solubility | N/A | Melting Point |
170-173℃ |
Formula | C9H9N3 | Boiling Point | 394.4 °C at 760 mmHg |
Molecular Weight | 159.191 | Flash Point | 220.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Pyrazole, 5-amino-4-phenyl-;3-Amino-4-phenyl pyrazole;Pyrazole, 3-amino-4-phenyl-;4-Phenyl-1H-pyrazol-5-ylamine;4-Phenyl-1H-pyrazol-3-amine;4-Phenylpyrazol-3-amine; |
Article Data | 10 |
The 1H-Pyrazol-3-amine,4-phenyl-, with the CAS registry number 5591-70-8, is also known as Pyrazole, 5-amino-4-phenyl-. This chemical's molecular formula is C9H9N3 and molecular weight is 159.19. What's more, its IUPAC name is 4-phenyl-1H-pyrazol-5-amine. Its classification code is Drug / Therapeutic Agent. When you are using this chemical, please be cautious about it. It may destroy living tissue on contact.
Physical properties of 1H-Pyrazol-3-amine,4-phenyl- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 60.02; (8)ACD/KOC (pH 7.4): 63.27; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 47.6 cm3; (15)Molar Volume: 128.5 cm3; (16)Polarizability: 18.87×10-24cm3; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 220.9 °C; (20)Enthalpy of Vaporization: 64.44 kJ/mol; (21)Boiling Point: 394.4 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-06 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: n2cc(c1ccccc1)c(N)n2
(2)Std. InChI: InChI=1S/C9H9N3/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
(3)Std. InChIKey: QEHKQNYBBLCFIJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD277-689, | |
mouse | LDLo | oral | 400mg/kg (400mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS | Journal of Medicinal Chemistry. Vol. 7, Pg. 259, 1964. |