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Name |
Ethyl (pyridin-3-ylmethyl)carbamate |
EINECS | N/A |
CAS No. | 2737-83-9 | Density | 1.12 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12N2O2 | Boiling Point | 335.8 °C at 760 mmHg |
Molecular Weight | 180.206 | Flash Point | 156.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamic acid, (3-pyridylmethyl)-, ethyl ester (7CI,8CI);NSC 93659;Carbamic acid, (3-pyridinylmethyl)-, ethyl ester (9CI); |
Article Data | 3 |
The Ethyl (pyridin-3-ylmethyl)carbamate, with the CAS registry number 2737-83-9, is also known as Carbamic acid, (3-pyridinylmethyl)-, ethyl ester (9CI). This chemical's molecular formula is C9H12N2O2 and molecular weight is 180.20.
Physical properties of Ethyl (pyridin-3-ylmethyl)carbamate are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 42.43 Å2; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 48.52 cm3; (9)Molar Volume: 160.7 cm3; (10)Surface Tension: 42.3 dyne/cm; (11)Density: 1.12 g/cm3; (12)Flash Point: 156.9 °C; (13)Enthalpy of Vaporization: 57.89 kJ/mol; (14)Boiling Point: 335.8 °C at 760 mmHg; (15)Vapour Pressure: 0.000117 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)NCc1cccnc1
(2)InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)11-7-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3,(H,11,12)
(3)InChIKey: YOTDMWXSBNBZBL-UHFFFAOYSA-N