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CAS No.: | 40509-16-8 |
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Name: | 3,3'-iminobispropane-1,2-diol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H15NO4 |
Molecular Weight: | 165.189 |
Synonyms: | 3,3-iminobispropane-1,2-diol;DI-(PROPAN-2,3-DIOL)AMINE;3,3-Iminobis(1,2-propanediol) |
EINECS: | 254-948-7 |
Density: | 1.298 g/cm3 |
Boiling Point: | 411.3 °C at 760 mmHg |
Flash Point: | 220.6 °C |
PSA: | 92.95000 |
LogP: | -2.32670 |
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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