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Cas Database |
| Name |
1R,2R-1,2-Di(4'-methoxyphenyl)-1,2-diaminoethan |
EINECS | N/A |
| CAS No. | 58520-04-0 | Density | 1.135g/cm3 |
| PSA | 70.50000 | LogP | 3.80420 |
| Solubility | N/A | Melting Point |
89-91°C |
| Formula | C16H20 N2 O2 | Boiling Point | 438.2°Cat760mmHg |
| Molecular Weight | 272.347 | Flash Point | 231.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
1,2-Ethanediamine,1,2-bis(4-methoxyphenyl)-, [S-(R*,R*)]- (9CI);(1S,2S)-1,2-Bis(4-methoxyphenyl)-1,2-ethanediamine |
Article Data | 4 |
1R,2R-1,2-Di(4'-methoxyphenyl)-1,2-diaminoethan Chemical Properties
IUPAC Name: (1R,2R)-1,2-bis(4-Methoxyphenyl)ethane-1,2-diamine
Synonyms of (1R,2R)-1,2-bis(4-Methoxyphenyl)ethane-1,2-diamine (CAS NO.58520-04-0 ): 1R,2R-1,2-Di(4'-Methoxyphenyl)-1,2-diaminoethan
CAS NO: 58520-04-0
Molecular Formula: C16H20N2O2
Molecular Weight: 272.34
Molecular Structure: 
EINECS: 227-186-8
H bond acceptors: 4
H bond donors: 4
Freely Rotating Bonds: 7
Polar Surface Area: 24.94 Å2
Index of Refraction: 1.588
Molar Refractivity: 80.72 cm3
Molar Volume: 239.8 cm3
Surface Tension: 46 dyne/cm
Density: 1.135 g/cm3
Flash Point: 231.9 °C
Enthalpy of Vaporization: 69.5 kJ/mol
Boiling Point: 438.2 °C at 760 mmHg
Vapour Pressure: 7.01E-08 mmHg at 25°C
Melting Point: 89-91°C
SMILES: O(c1ccc(cc1)[C@@H](N)[C@@H](c2ccc(OC)cc2)N)C
InChI: InChI=1/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m1/s1
InChIKey: ZWMPRHYHRAUVGY-HZPDHXFCBS
Std. InChI: InChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m1/s1
Std. InChIKey: ZWMPRHYHRAUVGY-HZPDHXFCSA-N
1R,2R-1,2-Di(4'-methoxyphenyl)-1,2-diaminoethan Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22
R22: (1R,2R)-1,2-bis(4-Methoxyphenyl)ethane-1,2-diamine (CAS NO.58520-04-0 ) is harmful if swallowed.
Safety Statements: 36/37
S36/37: Wear suitable protective clothing and gloves.
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