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3213-29-4

Basic Information
CAS No.: 3213-29-4
Name: Benzeneethanamine,2,3-dimethoxy-
Molecular Structure:
Molecular Structure of 3213-29-4 (Benzeneethanamine,2,3-dimethoxy-)
Formula: C10H15NO2
Molecular Weight: 181.23
Synonyms: Phenethylamine,2,3-dimethoxy- (6CI,7CI,8CI);2,3-Dimethoxyphenethylamine;2-(2,3-Dimethoxyphenyl)ethanamine;2-(2,3-Dimethoxyphenyl)ethylamine;
EINECS:
Density: 1.041 g/cm3
Melting Point:
Boiling Point: 267.2 °C at 760 mmHg
Flash Point: 124.9 °C
Solubility:
Appearance:
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
Transport Information: UN 2735 8/PG 2
PSA: 44.48000
LogP: 1.90530
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Specification

The CAS register number of Benzeneethanamine,2,3-dimethoxy- is 3213-29-4. It also can be called as 2,3-Dimethoxyphenethylamine and the IUPAC name about this chemical is 2-(2,3-dimethoxyphenyl)ethanamine. The molecular formula about this chemical is C10H15NO2 and the molecular weight is 181.23. It belongs to the following product categories which include Amines; C9 to C10; Nitrogen Compounds and so on.

Physical properties about Benzeneethanamine,2,3-dimethoxy- are: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): -1.87; (3)ACD/LogD (pH 7.4): -1.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 52.69 cm3; (14)Molar Volume: 173.9 cm3; (15)Polarizability: 20.88x10-24cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 1.041 g/cm3; (18)Flash Point: 124.9 °C; (19)Enthalpy of Vaporization: 50.52 kJ/mol; (20)Boiling Point: 267.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00829 mmHg at 25 °C.

Uses of Benzeneethanamine,2,3-dimethoxy-: it can be used to produce 16,17-dimethoxy-8-oxo-cis-erythrinan with (2-oxo-cyclohexyl)-acetic acid ethyl ester. This reaction will need reagent of 57percent HI and solvent of toluene. The reaction time is 30 minutes with room temperature. The yield is about 67%.

Benzeneethanamine,2,3-dimethoxy- can be used to produce 16,17-dimethoxy-8-oxo-cis-erythrinan with (2-oxo-cyclohexyl)-acetic acid ethyl ester.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns and it is stable under normal temperature and pressure. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(cccc1OC)CCN)C
(2)InChI: InChI=1/C10H15NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6-7,11H2,1-2H3
(3)InChIKey: XKBUFTXNLBWTFP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H15NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6-7,11H2,1-2H3
(5)Std. InChIKey: XKBUFTXNLBWTFP-UHFFFAOYSA-N