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| CAS No.: | 34375-28-5 |
|---|---|
| Name: | 2-[(HYDROXYMETHYL)AMINO]ETHANOL |
| Molecular Structure: | |
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| Formula: | C3H9NO2 |
| Molecular Weight: | 91.11 |
| Synonyms: | 2-(Hydroxymethylamino)ethanol; |
| EINECS: | 251-974-0 |
| Density: | 1.112 g/cm3 |
| Boiling Point: | 240.2 °C at 760 mmHg |
| Flash Point: | 153.8 °C |
| Solubility: | 1000g/L at 25℃ |
| Transport Information: | UN 3267 |
| PSA: | 52.49000 |
| LogP: | -1.09100 |
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Specification
The Ethanol, 2-(hydroxymethylamino)-, with the CAS registry number of 34375-28-5, is also known as 2-[(Hydroxymethyl)amino]ethanol and N-(Hydroxymethyl)ethanolamine. Its EINECS registry number is 251-974-0. This chemical's molecular formula is C3H9NO2 and molecular weight is 91.11. What's more, its IUPAC name is 2-(Hydroxymethylamino)ethanol.
Physical properties about Ethanol, 2-(hydroxymethylamino)- are: (1)ACD/LogP: -1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.59; (4)ACD/LogD (pH 7.4): -1.99; (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): 1.39; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 22.61 cm3; (15)Molar Volume: 81.8 cm3; (16)Surface Tension: 45.7 dyne/cm; (17)Density: 1.112 g/cm3; (18)Flash Point: 153.8 °C; (19)Enthalpy of Vaporization: 55.44 kJ/mol; (20)Boiling Point: 240.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00672 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCNCO
(2) InChI: InChI=1/C3H9NO2/c5-2-1-4-3-6/h4-6H,1-3H2
(3) InChIKey: NWPCFCBFUXXJIE-UHFFFAOYAL