3,3-Iminobispropane-1,2-diol supplier

Name
3,3'-iminobispropane-1,2-diol
EINECS 254-948-7
CAS No. 40509-16-8
Article Data1
CAS DataBase
Density 1.298 g/cm³
Solubility
Melting Point
Formula C₆H₁₅NO₄
Boiling Point 411.3 °C at 760 mmHg
Molecular Weight 165.189
Flash Point 220.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-iminobispropane-1,2-diol;DI-(PROPAN-2,3-DIOL)AMINE;3,3-Iminobis(1,2-propanediol)
PSA 92.95000
LogP -2.32670

3,3-Iminobispropane-1,2-diol Specification

The 3,3-Iminobispropane-1,2-diol is an organic compound with the formula C₆H₁₅NO₄. The systematic name of this chemical is 3,3'-iminodipropane-1,2-diol. With the CAS registry number 40509-16-8, it is also named as 1,2-propanediol, 3,3'-iminobis-.

Physical properties about 3,3-Iminobispropane-1,2-diol are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 10; (9)Polar Surface Area: 92.95 Å²; (10)Index of Refraction: 1.533; (11)Molar Refractivity: 39.49 cm³; (12)Molar Volume: 127.1 cm³; (13)Polarizability: 15.65×10^-24cm³; (14)Surface Tension: 64.5 dyne/cm; (15)Density: 1.298 g/cm³; (16)Flash Point: 220.6 °C; (17)Enthalpy of Vaporization: 76.69 kJ/mol; (18)Boiling Point: 411.3 °C at 760 mmHg; (19)Vapour Pressure: 1.75E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CNCC(O)CO)CO
(2)InChI: InChI=1/C6H15NO4/c8-3-5(10)1-7-2-6(11)4-9/h5-11H,1-4H2
(3)InChIKey: SAMGBMSEBPZABZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H15NO4/c8-3-5(10)1-7-2-6(11)4-9/h5-11H,1-4H2
(5)Std. InChIKey: SAMGBMSEBPZABZ-UHFFFAOYSA-N

Product Name

3,3'-iminobispropane-1,2-diol

3,3-Iminobispropane-1,2-diol Specification

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