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38264-80-1

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Basic Information
CAS No.: 38264-80-1
Name: N'-ethyl-N'-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
Molecular Structure:
Molecular Structure of 38264-80-1 (N'-ethyl-N'-(2-methoxyethyl)-2-methylbenzene-1,4-diamine)
Formula: C12H20N2O
Molecular Weight: 208.3
Synonyms: 4-Amino-3-methyl-N-ethyl-N-methoxyethylaniline;4-Amino-N-ethyl-N-(2-methoxyethyl)-3-methylaniline;N-Ethyl-N-(2-methoxyethyl)-3-methyl-p-phenylenediamine;PPD 6;
EINECS: 253-856-4
Density: 1.031 g/cm3
Boiling Point: 338 °C at 760 mmHg
Flash Point: 158.2 °C
PSA: 38.49000
LogP: 2.63110
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Specification

The 1,4-Benzenediamine,N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, with the CAS registry number 38264-80-1, is also known as N'-ethyl-N'-(2-methoxyethyl)-2-methylbenzene-1,4-diamine. Its EINECS number is 253-856-4. This chemical's molecular formula is C12H20N2O and molecular weight is 208.3. What's more, its systematic name is N4-ethyl-N4-(2-methoxyethyl)-2-methylbenzene-1,4-diamine.

Physical properties of 1,4-Benzenediamine,N4-ethyl-N4-(2-methoxyethyl)-2-methyl- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.21; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.88; (7)ACD/KOC (pH 5.5): 2.58; (8)ACD/KOC (pH 7.4): 86.85; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 65.27 cm3; (15)Molar Volume: 201.8 cm3; (16)Polarizability: 25.87×10-24 cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.031 g/cm3; (19)Flash Point: 158.2 °C; (20)Enthalpy of Vaporization: 58.14 kJ/mol; (21)Boiling Point: 338 °C at 760 mmHg; (22)Vapour Pressure: 0.000101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O(C)CCN(c1ccc(N)c(c1)C)CC
(2)InChI: InChI=1/C12H20N2O/c1-4-14(7-8-15-3)11-5-6-12(13)10(2)9-11/h5-6,9H,4,7-8,13H2,1-3H3
(3)InChIKey: FFAJEKUNEVVYCW-UHFFFAOYAP