1H-1,2,4-Triazol-5-amine,3-(1-methylethyl)- supplier

Name
3-AMINO-5-ISOPROPYL-1,2,4-TRIAZOLE
EINECS
CAS No. 22882-41-3
Density 1.183 g/cm³
Solubility
Melting Point 79-81 °C
Formula C₅H₁₀N₄
Boiling Point 319.7 °C at 760 mmHg
Molecular Weight 126.161
Flash Point 173.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazol-3-amine,5-(1-methylethyl)- (9CI);5-Isopropyl-4H-1,2,4-triazol-3-amine;3-Amino-5-isopropyl[1,2,4]triazole;5-Amino-3-isopropyl-1,2,4-triazole;5-(1-Methylethyl)-1H-1,2,4-triazol-3-amine;5-Propan-2-yl-1H-1,2,4-triazol-3-amine;3-Isopropyl-1H-1,2,4-triazol-5-amine;
PSA 67.59000
LogP 1.09150

1H-1,2,4-Triazol-5-amine,3-(1-methylethyl)- Specification

The 1H-1,2,4-Triazol-5-amine,3-(1-methylethyl)-, with the CAS registry number 22882-41-3, is also known as 5-(1-Methylethyl)-1H-1,2,4-triazol-3-amine. This chemical's molecular formula is C₅H₁₀N₄ and molecular weight is 126.16. What's more, its systematic name is 5-propan-2-yl-1H-1,2,4-triazol-3-amine.

Physical properties of 1H-1,2,4-Triazol-5-amine,3-(1-methylethyl)- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.18; (8)ACD/KOC (pH 7.4): 20.63; (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: 1.576; (14)Molar Refractivity: 35.28 cm³; (15)Molar Volume: 106.5 cm³; (16)Polarizability: 13.98×10^-24cm³; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 173.1 °C; (20)Enthalpy of Vaporization: 56.13 kJ/mol; (21)Boiling Point: 319.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000333 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=NC(=NN1)N
(2)InChI: InChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9)
(3)InChIKey: MDLFQCVYROBFIW-UHFFFAOYSA-N

Product Name

3-AMINO-5-ISOPROPYL-1,2,4-TRIAZOLE

1H-1,2,4-Triazol-5-amine,3-(1-methylethyl)- Specification

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