Basic Information | Post buying leads | Suppliers |
Name |
2-Propenoic acid,3-amino-2-nitro-, ethyl ester |
EINECS | N/A |
CAS No. | 58651-35-7 | Density | 1.286 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H8N2O4 | Boiling Point | 272.9 °C at 760 mmHg |
Molecular Weight | 160.13 | Flash Point | 118.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acrylicacid, 3-amino-2-nitro-, ethyl ester (7CI);NSC 76687;Ethyl 3-amino-2-nitroprop-2-enoate; |
The 2-Propenoic acid,3-amino-2-nitro-, ethyl ester, with the CAS registry number 58651-35-7, is also known as Acrylicacid, 3-amino-2-nitro-, ethyl ester (7CI). This chemical's molecular formula is C5H8N2O4 and molecular weight is 160.13. What's more, its systematic name is Ethyl 3-amino-2-nitroprop-2-enoate.
Physical properties of 2-Propenoic acid,3-amino-2-nitro-, ethyl ester are: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 75.36 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 36.44 cm3; (9)Molar Volume: 124.4 cm3; (10)Polarizability: 14.44×10-24 cm3; (11)Surface Tension: 47.5 dyne/cm; (12)Density: 1.286 g/cm3; (13)Flash Point: 118.8 °C; (14)Enthalpy of Vaporization: 51.12 kJ/mol; (15)Boiling Point: 272.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00592 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(=CN)[N+]([O-])=O
(2)InChI: InChI=1S/C5H8N2O4/c1-2-11-5(8)4(3-6)7(9)10/h3H,2,6H2,1H3
(3)InChIKey: XYOVWXHRPHECBH-UHFFFAOYSA-N