CAS No.502546-41-0,5-Cyclopropyl-1,2,4-triazol-3-ylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	502546-41-0
Name:	5-Cyclopropyl-1,2,4-triazol-3-ylamine

Formula:	C₅H₈N₄
Molecular Weight:	124.145
Synonyms:	1H-1,2,4-Triazol-3-amine,5-cyclopropyl- (9CI);3-Amino-5-cyclopropyl-1,2,4-triazole;3-Amino-5-cyclopropyl-1H-1,2,4-triazole;5-Cyclopropyl-1,2,4-triazol-3-amine;
Density:	1.469 g/cm³
Melting Point:	128 °C
Boiling Point:	383.4 °C at 760 mmHg
Flash Point:	213.8 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	67.59000
LogP:	0.84550

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Specification

The 1H-1,2,4-Triazol-5-amine,3-cyclopropyl-, with the CAS registry number 502546-41-0, is also known as 3-Amino-5-cyclopropyl-1H-1,2,4-triazole. It belongs to the product category of Amineprimary. This chemical's molecular formula is C₅H₈N₄ and molecular weight is 124.14. What's more, its systematic name is 5-cyclopropyl-1H-1,2,4-triazol-3-amine.

Physical properties of 1H-1,2,4-Triazol-5-amine,3-cyclopropyl- are: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.08; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.72; (8)ACD/KOC (pH 7.4): 6.67; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.95 Å²; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 33.13 cm³; (15)Molar Volume: 84.4 cm³; (16)Polarizability: 13.13×10^-24cm³; (17)Surface Tension: 100.1 dyne/cm; (18)Density: 1.469 g/cm³; (19)Flash Point: 213.8 °C; (20)Enthalpy of Vaporization: 63.19 kJ/mol; (21)Boiling Point: 383.4 °C at 760 mmHg; (22)Vapour Pressure: 4.42E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC1C2=NC(=NN2)N
(2)InChI: InChI=1S/C5H8N4/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H3,6,7,8,9)
(3)InChIKey: UKNDNCZZVHGBJQ-UHFFFAOYSA-N