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CAS No.: | 132833-51-3 |
---|---|
Name: | 4-(4-Bromobenzyl)morpholine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C11H14BrNO |
Molecular Weight: | 256.142 |
Synonyms: | 4-(4-Bromobenzyl)morpholine; |
Density: | 1.399 g/cm3 |
Boiling Point: | 313.2 °C at 760mmHg |
Flash Point: | 143.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 12.47000 |
LogP: | 2.21920 |
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The Morpholine,4-[(4-bromophenyl)methyl]- is an organic compound with the formula C11H14BrNO. The systematic name of this chemical is 4-(4-bromobenzyl)morpholine and the CAS registry number is 132833-51-3. The product's categories are Amino; Aryl; Organohalides. In addition, this chemical should be stored at room temperature.
The other characteristics of Morpholine,4-[(4-bromophenyl)methyl]- can be summarized as: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.574; (8)Molar Refractivity: 60.47 cm3; (9)Molar Volume: 183 cm3; (10)Polarizability: 23.97×10-24 cm3; (11)Surface Tension: 44.2 dyne/cm; (12)Density: 1.399 g/cm3; (13)Flash Point: 143.2 °C; (14)Enthalpy of Vaporization: 55.42 kJ/mol; (15)Boiling Point: 313.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000505 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)CN2CCOCC2
2. InChI:InChI=1/C11H14BrNO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
3. InChIKey:KWJZFQQTDGVBOX-UHFFFAOYAX
4. Std. InChI:InChI=1S/C11H14BrNO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
5. Std. InChIKey:KWJZFQQTDGVBOX-UHFFFAOYSA-N