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CAS No.: | 864068-83-7 |
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Name: | N-METHYL-N-(3-MORPHOLIN-4-YLBENZYL)AMINE |
Molecular Structure: | |
Formula: | C12H18N2O |
Molecular Weight: | 206.28 |
Synonyms: | N-[3-(Morpholin-4-yl)benzyl]-N-methylamine; |
Density: | 1.061g/cm3 |
Boiling Point: | 348 °C at 760 mmHg |
Flash Point: | 164.3 °C |
Risk Codes: | 34 |
Safety: | 23-26-36/37/39 |
PSA: | 24.50000 |
LogP: | 1.69850 |
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The Benzenemethanamine,N-methyl-3-(4-morpholinyl)-, with CAS registry number 864068-83-7, belongs to the following product category: Pharmacetical. It has the systematic name of N-methyl-1-(3-morpholin-4-ylphenyl)methanamine. And the chemical formula of this chemical is C12H18N2O.
Physical properties of Benzenemethanamine,N-methyl-3-(4-morpholinyl)-: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 15.71 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 61.2 cm3; (9)Molar Volume: 194.3 cm3; (10)Polarizability: 24.26×10-24cm3; (11)Surface Tension: 39.6 dyne/cm; (12)Density: 1.061 g/cm3; (13)Flash Point: 164.3 °C; (14)Enthalpy of Vaporization: 59.24 kJ/mol; (15)Boiling Point: 348 °C at 760 mmHg; (16)Vapour Pressure: 5.16E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenemethanamine,N-methyl-3-(4-morpholinyl)- may cause burns. You should not breathe vapour. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O2CCN(c1cccc(c1)CNC)CC2
(2)InChI: InChI=1/C12H18N2O/c1-13-10-11-3-2-4-12(9-11)14-5-7-15-8-6-14/h2-4,9,13H,5-8,10H2,1H3
(3)InChIKey: NMXQVDADIRIPAH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H18N2O/c1-13-10-11-3-2-4-12(9-11)14-5-7-15-8-6-14/h2-4,9,13H,5-8,10H2,1H3
(5)Std. InChIKey: NMXQVDADIRIPAH-UHFFFAOYSA-N