1H-Pyrazol-5-amine,1-(phenylmethyl)- supplier

Name
1-benzyl-1H-pyrazol-5-amine
EINECS 222-550-2
CAS No. 3528-51-6
Article Data14
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 79-81 °C
Formula C₁₀H₁₁N₃
Boiling Point 369.4 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 177.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzylpyrazole-5-ylamine;2-(Phenylmethyl)pyrazol-3-amine;[2-(Benzyl)pyrazol-3-yl]amine;1-Benzyl-1H-pyrazol-5-amine;
PSA 43.84000
LogP 2.09480

1H-Pyrazol-5-amine,1-(phenylmethyl)- Specification

The 1H-Pyrazol-5-amine,1-(phenylmethyl)-, with the CAS registry number 3528-51-6, is also known as 1-Benzyl-1H-pyrazol-5-amine. Its EINECS number is 222-550-2. This chemical's molecular formula is C₁₀H₁₁N₃ and molecular weight is 173.22. What's more, its IUPAC name is 2-benzylpyrazol-3-amine.

Physical properties of 1H-Pyrazol-5-amine,1-(phenylmethyl)- are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.39; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.05; (8)ACD/KOC (pH 7.4): 44.45; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 52.45 cm³; (15)Molar Volume: 148.7 cm³; (16)Polarizability: 20.79×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 177.2 °C; (20)Enthalpy of Vaporization: 61.61 kJ/mol; (21)Boiling Point: 369.4 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(n1Cc2ccccc2)N
(2)Std. InChI: InChI=1S/C10H11N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-7H,8,11H2
(3)Std. InChIKey: CJDYNUBRSBSSJU-UHFFFAOYSA-N

Product Name

1-benzyl-1H-pyrazol-5-amine

1H-Pyrazol-5-amine,1-(phenylmethyl)- Specification

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