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2294-46-4

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Basic Information
CAS No.: 2294-46-4
Name: 2,2'-iminodipropanol
Article Data: 6
Molecular Structure:
Molecular Structure of 2294-46-4 (2,2'-iminodipropanol)
Formula: C6H15NO2
Molecular Weight: 133.191
Synonyms: 2,2'-Iminobis(1-propanol);
EINECS: 218-933-9
Density: 1.007 g/cm3
Boiling Point: 254.4 °C at 760 mmHg
Flash Point: 118.4 °C
PSA: 52.49000
LogP: -0.27150
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Specification

The 1-Propanol,2,2'-iminobis-, with the CAS registry number of 2294-46-4, is also known as 2,2'-Iminobis(1-propanol). Its EINECS registry number is 218-933-9. This chemical's molecular formula is C6H15NO2 and molecular weight is 133.1888. What's more, its IUPAC name is 2-(L-Hydroxypropan-2-ylamino)propan-1-ol.

Physical properties about the 1-Propanol,2,2'-iminobis- are: (1)ACD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.79; (4)ACD/LogD (pH 7.4): -2.51; (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: 6; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.463; (14) Molar Refractivity: 36.42 cm3; (15)Molar Volume: 132.1 cm3; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.007 g/cm3; (18)Flash Point: 118.4 °C; (19)Enthalpy of Vaporization: 57.13 kJ/mol; (20)Boiling Point: 254.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00265 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(NC(C)CO)C
(2) InChI: InChI=1/C6H15NO2/c1-5(3-8)7-6(2)4-9/h5-9H,3-4H2,1-2H3
(3) InChIKey: WCYGORCMAJDYJN-UHFFFAOYAU