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| Name |
N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride |
EINECS | 303-085-5 |
| CAS No. | 94158-14-2 | Density | 1.427 at 20℃ |
| PSA | 50.72000 | LogP | 1.69450 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H11NO3.HCl | Boiling Point | 363.1 °C at 760 mmHg |
| Molecular Weight | 217.6495 | Flash Point | 173.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethanol,2-(1,3-benzodioxol-5-ylamino)-, hydrochloride (9CI);4-(2-Hydroxyethyl)amino-1,2-methylenedioxybenzene hydrochloride; |
N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride Specification
The CAS register number of N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride is 94158-14-2. It also can be called as 4-(2-Hydroxyethyl)amino-1,2-methylenedioxybenzene hydrochloride and the IUPAC name about this chemical is 2-(1,3-benzodioxol-5-ylamino)ethanol hydrochloride.
Physical properties about N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride are: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 2.64; (5)ACD/BCF (pH 7.4): 3.53; (6)ACD/KOC (pH 5.5): 64.15; (7)ACD/KOC (pH 7.4): 85.72; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 30.93Å2; (12)Enthalpy of Vaporization: 64.27 kJ/mol; (13)Boiling Point: 363.1 °C at 760 mmHg; (14)Vapour Pressure: 6.57E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O1c2ccc(cc2OC1)NC
(2)InChI: InChI=1/C9H11NO3.ClH/c11-4-3-10-7-1-2-8-9(5-7)13-6-12-8;/h1-2,5,10-11H,3-4,6H2;1H
(3)InChIKey: LMONVTDNVNEAQG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H11NO3.ClH/c11-4-3-10-7-1-2-8-9(5-7)13-6-12-8;/h1-2,5,10-11H,3-4,6H2;1H
(5)Std. InChIKey: LMONVTDNVNEAQG-UHFFFAOYSA-N
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