Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Formamide-1-(2-formyloxyethl)pyrazole |
EINECS | 1308068-626-2 |
CAS No. | 116856-18-9 | Density | 1.32 g/cm3 |
PSA | 73.22000 | LogP | 0.96920 |
Solubility | N/A | Melting Point |
84-86 °C |
Formula | C7H9N3O3 | Boiling Point | 414.8 °C at 760 mmHg |
Molecular Weight | 183.167 | Flash Point | 204.7 °C |
Transport Information | N/A | Appearance | white powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-[1-[2-(Formyloxy)ethyl]-1H-pyrazol-5-yl]formamide;5-Formamido-1-(2-formyloxyethyl)-1H-pyrazole; |
Article Data | 4 |
The IUPAC name of Formamide,N-[1-[2-(formyloxy)ethyl]-1H-pyrazol-5-yl]- is 2-(5-formamidopyrazol-1-yl)ethyl formate. With the CAS registry number 116856-18-9, it is also named as N-[1-[2-(Formyloxy)ethyl]-1H-pyrazol-5-yl]formamide. In addition, its molecular formula is C7H9N3O3 and its molecular weight is 183.16.
The other characteristics of Formamide,N-[1-[2-(formyloxy)ethyl]-1H-pyrazol-5-yl]- can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6.46; (5)ACD/KOC (pH 7.4): 6.46; (6)H bond acceptors: 6; (7)H bond donors: 1; (8)Freely Rotating Bonds: 5; (9)Polar Surface Area: 73.22 Å2; (10)Index of Refraction: 1.572; (11)Molar Refractivity: 45.41 cm3; (12)Molar Volume: 138 cm3; (13)Polarizability: 18×10-24cm3; (14)Surface Tension: 53.9 dyne/cm; (15)Density: 1.32 g/cm3; (16)Flash Point: 204.7 °C; (17)Melting point: 84-86 °C; (18)Enthalpy of Vaporization: 66.78 kJ/mol; (19)Boiling Point: 414.8 °C at 760 mmHg; (20)Vapour Pressure: 4.32E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=CNc1ccnn1CCOC=O
(2)InChI:InChI=1/C7H9N3O3/c11-5-8-7-1-2-9-10(7)3-4-13-6-12/h1-2,5-6H,3-4H2,(H,8,11)
(3)InChIKey:ADNBFDFIEWMUBJ-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C7H9N3O3/c11-5-8-7-1-2-9-10(7)3-4-13-6-12/h1-2,5-6H,3-4H2,(H,8,11)
(5)Std. InChIKey:ADNBFDFIEWMUBJ-UHFFFAOYSA-N