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CAS No.: | 7097-89-4 |
---|---|
Name: | (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C5H10N2S |
Molecular Weight: | 130.214 |
Synonyms: | Isothiocyanicacid, 2-(dimethylamino)ethyl ester (7CI,8CI);2-Dimethylaminoethylisothiocyanate; |
Density: | 0.96 g/cm3 |
Boiling Point: | 182.3 °C at 760 mmHg |
Flash Point: | 64 °C |
PSA: | 47.69000 |
LogP: | 0.65080 |
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The Ethanamine,2-isothiocyanato-N,N-dimethyl-, with the CAS registry number 7097-89-4, is also known as Isothiocyanicacid, 2-(dimethylamino)ethyl ester (7CI,8CI). This chemical's molecular formula is C5H10N2S and molecular weight is 130.2113. What's more, its systematic name is 2-Isothiocyanato-N,N-dimethylethanamine.
Physical properties about Ethanamine,2-isothiocyanato-N,N-dimethyl- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 47.69 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 39.55 cm3; (9)Molar Volume: 135.1 cm3; (10)Polarizability: 15.67×10-24 cm3; (11)Surface Tension: 29.5 dyne/cm; (12)Density: 0.96 g/cm3; (13)Flash Point: 64 °C; (14)Enthalpy of Vaporization: 41.85 kJ/mol; (15)Boiling Point: 182.3 °C at 760 mmHg; (16)Vapour Pressure: 0.818 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C=N/CCN(C)C
(2) InChI: InChI=1/C5H10N2S/c1-7(2)4-3-6-5-8/h3-4H2,1-2H3
(3) InChIKey: XNBOXPBFVNNCFD-UHFFFAOYAX