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18240-93-2

Basic Information
CAS No.: 18240-93-2
Name: N,N-DIETHYL-GUANIDINE
Article Data: 14
Molecular Structure:
Molecular Structure of 18240-93-2 (N,N-DIETHYL-GUANIDINE)
Formula: C5H13N3
Molecular Weight: 115.178
Synonyms: Guanidine,1,1-diethyl- (6CI,7CI,8CI);1,1-Diethylguanidine;N,N-Diethylguanidine;
Density: 0.99 g/cm3
Melting Point: 255~260℃
Boiling Point: 154.6 °C at 760 mmHg
Flash Point: 47.3 °C
PSA: 53.11000
LogP: 1.02170
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    English name: N, N-Diethyl-guanidine CAS: 18240-93-2 Molecular formula: C5H13N3 Molecular weight: 115.1768 Melting point: 255 ~ 260 ° C. Moisture: ≤ 0.5% Content ≥ 98.0% Standard: Corporate Standard Character: whit

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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