1H-Pyrazol-3-amine,4-phenyl- supplier

Name
4-PHENYL-1H-PYRAZOL-3-YLAMINE
EINECS
CAS No. 5591-70-8
Article Data10
CAS DataBase
Density 1.238 g/cm³
Solubility
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
Appearance
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;
PSA 54.70000
LogP 2.24010

1H-Pyrazol-3-amine,4-phenyl- Specification

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.

Product Name

4-PHENYL-1H-PYRAZOL-3-YLAMINE

1H-Pyrazol-3-amine,4-phenyl- Specification

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