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1193-66-4

Basic Information
CAS No.: 1193-66-4
Name: 1,4-Diazabicyclo[2.2.2]octane,2-methyl-
Article Data: 8
Cas Database
Molecular Structure:
Molecular Structure of 1193-66-4 (1,4-Diazabicyclo[2.2.2]octane,2-methyl-)
Formula: C7H14N2
Molecular Weight: 126.202
Synonyms: 2-Methyl-1,4-diazabicyclo[2.2.2]octane;2-Methyldiazabicyclooctane;2-Methyltriethylenediamine;C-Methyltriethylenediamine;Methyl-1,4-diazabicyclo[2.2.2]octane;Methyl-Dabco;
EINECS: 214-777-0
Density: 1.04 g/cm3
Melting Point: N/A
Boiling Point: 183.7 °C at 760 mmHg
Flash Point: 59.2 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 6.48000
LogP: -0.11810
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Specification

The 1,4-Diazabicyclo[2.2.2]octane,2-methyl- is an organic compound with the formula C7H14N2. The IUPAC name of this chemical is 3-Methyl-1,4-diazabicyclo[2.2.2]octane. With the CAS registry number 1193-66-4, it is also named as 2-Methyl-1,4-diazabicyclo(2.2.2)octane. Besides, its molecular weight is 126.20.

The physical properties of 1,4-Diazabicyclo[2.2.2]octane,2-methyl- are: (1)ACD/LogP: -0.36; (2)ACD/LogD (pH 5.5): -2.97; (3)ACD/LogD (pH 7.4): -1.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.9; (8)#H bond acceptors: 2; (9)Polar Surface Area: 6.48 Å2; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 38.1 cm3; (12)Molar Volume: 120.6 cm3; (13)Polarizability: 15.1×10-24 cm3; (14)Surface Tension: 39.1 dyne/cm; (15)Density: 1.04 g/cm3; (16)Flash Point: 59.2 °C; (17)Enthalpy of Vaporization: 41.99 kJ/mol; (18)Boiling Point: 183.7 °C at 760 mmHg; (19)Vapour Pressure: 0.761 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N12CC(N(CC1)CC2)C
(2)InChI: InChI=1/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3
(3)InChIKey: QXKMWFFBWDHDCB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3
(5)Std. InChIKey: QXKMWFFBWDHDCB-UHFFFAOYSA-N