Guanidine, N,N-diethyl- supplier

Name
N,N-DIETHYL-GUANIDINE
EINECS
CAS No. 18240-93-2
Article Data14
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point 255～260℃
Formula C₅H₁₃N₃
Boiling Point 154.6 °C at 760 mmHg
Molecular Weight 115.178
Flash Point 47.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Guanidine,1,1-diethyl- (6CI,7CI,8CI);1,1-Diethylguanidine;N,N-Diethylguanidine;
PSA 53.11000
LogP 1.02170

Guanidine, N,N-diethyl- Specification

The Guanidine, N,N-diethyl-, with the CAS registry number 18240-93-2, is also known as N,N-Diethylguanidine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₅H₁₃N₃ and molecular weight is 115.18. What's more, both its IUPAC name and systematic name are the same which is called 1,1-Diethylguanidine.

Physical properties about Guanidine, N,N-diethyl- are: (1) ACD/LogP: -0.45; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.45; (4) ACD/LogD (pH 7.4): -2.45; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 18.84 Å²; (13) Index of Refraction: 1.484; (14) Molar Refractivity: 32.99 cm³; (15) Molar Volume: 115.2 cm³; (16) Surface Tension: 35.2 dyne/cm; (17) Density: 0.99 g/cm³; (18) Flash Point: 47.3 °C; (19) Enthalpy of Vaporization: 39.13 kJ/mol; (20) Boiling Point: 154.6 °C at 760 mmHg; (21) Vapour Pressure: 3.16 mmHg at 25 °C.

Uses of Guanidine, N,N-diethyl-: it is used to produce other chemicals. For example, it is used to produce Diethyl-[4-(3,4,5-trimethoxy-phenyl)-6-(2,4,5-trimethoxy-phenyl)-pyrimidin-2-yl]-amine. This reaction needs solvent Tetrahydrofuran. The yield is 84 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [N@H]=C(N)N(CC)CC
(2) InChI: InChI=1/C5H13N3/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3,(H3,6,7)
(3) InChIKey: PDDWJLGBNYUCQO-UHFFFAOYAQ

Product Name

N,N-DIETHYL-GUANIDINE

Guanidine, N,N-diethyl- Specification

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