1H-Pyrazole-5-carboxamide,1,3-dimethyl- supplier

Name
1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXAMIDE
EINECS
CAS No. 136678-93-8
Article Data4
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 164 °C
Formula C₆H₉N₃O
Boiling Point 288.7 °C at 760 mmHg
Molecular Weight 139.157
Flash Point 128.4 °C
Transport Information
Appearance
Safety 24/25
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3-Dimethyl-1H-pyrazole-5-carboxamide;1,3-Dimethylpyrazole-5-carboxamide;
PSA 60.91000
LogP 0.52770

1H-Pyrazole-5-carboxamide,1,3-dimethyl- Specification

The 1H-Pyrazole-5-carboxamide,1,3-dimethyl-, with CAS registry number 136678-93-8, belongs to the following product category: Amide. It has the systematic name of 1,3-dimethyl-1H-pyrazole-5-carboxamide. And the chemical formula of this chemical is C₆H₉N₃O. When use this chemical, please avoid contact with skin and eyes.

Physical properties of 1H-Pyrazole-5-carboxamide,1,3-dimethyl-: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.85; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.21; (8)ACD/KOC (pH 7.4): 8.21; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.13 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 37.04 cm³; (15)Molar Volume: 108.2 cm³; (16)Polarizability: 14.68×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 128.4 °C; (20)Enthalpy of Vaporization: 52.79 kJ/mol; (21)Boiling Point: 288.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(nn1C)C)N
(2)InChI: InChI=1/C6H9N3O/c1-4-3-5(6(7)10)9(2)8-4/h3H,1-2H3,(H2,7,10)
(3)InChIKey: RKOPPJWNONMZGZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H9N3O/c1-4-3-5(6(7)10)9(2)8-4/h3H,1-2H3,(H2,7,10)
(5)Std. InChIKey: RKOPPJWNONMZGZ-UHFFFAOYSA-N

Product Name

1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXAMIDE

1H-Pyrazole-5-carboxamide,1,3-dimethyl- Specification

Related Products

Hot Products