Ethanamine,2-isothiocyanato-N,N-dimethyl- supplier

Name
(2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE
EINECS
CAS No. 7097-89-4
Article Data12
CAS DataBase
Density 0.96 g/cm³
Solubility
Melting Point
Formula C₅H₁₀N₂S
Boiling Point 182.3 °C at 760 mmHg
Molecular Weight 130.214
Flash Point 64 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isothiocyanicacid, 2-(dimethylamino)ethyl ester (7CI,8CI);2-Dimethylaminoethylisothiocyanate;
PSA 47.69000
LogP 0.65080

Ethanamine,2-isothiocyanato-N,N-dimethyl- Specification

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

Product Name

(2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE

Ethanamine,2-isothiocyanato-N,N-dimethyl- Specification

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