CAS No.118430-74-3,3-CYCLOPROPYL-1-METHYL-1H-PYRAZOL-5-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118430-74-3
Name:	3-CYCLOPROPYL-1-METHYL-1H-PYRAZOL-5-AMINE
Article Data:	3

Formula:	C₇H₁₁N₃
Molecular Weight:	137.184
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;
Density:	1.38 g/cm³
Melting Point:	123-126 °C
Boiling Point:	299.238 °C at 760 mmHg
Flash Point:	134.775 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	43.84000
LogP:	1.46090

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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