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1H-Pyrazol-5-amine,3-cyclopropyl-1-methyl-

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Name

1H-Pyrazol-5-amine,3-cyclopropyl-1-methyl-

EINECS N/A
CAS No. 118430-74-3 Density 1.38 g/cm3
PSA 43.84000 LogP 1.46090
Solubility N/A Melting Point 123-126 °C
Formula C7H11N3 Boiling Point 299.238 °C at 760 mmHg
Molecular Weight 137.184 Flash Point 134.775 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 118430-74-3 (3-CYCLOPROPYL-1-METHYL-1H-PYRAZOL-5-AMINE) Hazard Symbols IrritantXi
Synonyms

(3-Cyclopropyl-1-methyl-1H-pyrazol-5-yl)amine;(5-Cyclopropyl-2-methyl-2H-pyrazol-3-yl)amine;5-Amino-3-cyclopropyl-1-methylpyrazole;

Article Data 3

1H-Pyrazol-5-amine,3-cyclopropyl-1-methyl- Specification

The 1H-Pyrazol-5-amine,3-cyclopropyl-1-methyl-, with its CAS registry number 118430-74-3, has the systematic name of 3-cyclopropyl-1-methyl-1H-pyrazol-5-amine. With its molecular foumula of C7H11N3, it has the formula weight of 137.18.

The characteristics of 1H-Pyrazol-5-amine,3-cyclopropyl-1-methyl- are as follows: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.56; (8)ACD/KOC (pH 7.4): 21.99; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 38.44 cm3; (15)Molar Volume: 99.4 cm3; (16)Polarizability: 15.23×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 134.8 °C; (20)Enthalpy of Vaporization: 53.92 kJ/mol; (21)Boiling Point: 299.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00121 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:n1c(cc(N)n1C)C2CC2
(2)InChI:InChI=1/C7H11N3/c1-10-7(8)4-6(9-10)5-2-3-5/h4-5H,2-3,8H2,1H3
(3)InChIKey:YWHWPIRLFHZSFS-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C7H11N3/c1-10-7(8)4-6(9-10)5-2-3-5/h4-5H,2-3,8H2,1H3
(5)Std. InChIKey:YWHWPIRLFHZSFS-UHFFFAOYSA-N

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