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CAS No.: | 857283-92-2 |
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Name: | N-METHYL-N-[3-(MORPHOLIN-4-YLMETHYL)BENZYL]AMINE |
Molecular Structure: | |
Formula: | C13H20N2 |
Molecular Weight: | 220.31 |
Synonyms: | N-[3-[(Morpholin-4-yl)methyl]benzyl]-N-methylamine;N-Methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine;Methyl-(3-morpholin-4-ylmethyl-benzyl)-amine; |
Density: | 1.056 g/cm3 |
Melting Point: | 128-130 °C |
Boiling Point: | 316.1 °C at 760 mmHg |
Flash Point: | 145 °C |
Hazard Symbols: | F |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 24.50000 |
LogP: | 1.56700 |
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The Benzenemethanamine,N-methyl-3-(4-morpholinylmethyl)-, with the CAS registry number 857283-92-2, is also known as N-[3-[(Morpholin-4-yl)methyl]benzyl]-N-methylamine. This chemical's molecular formula is C13H20N2O and molecular weight is 220.31. What's more, its systematic name is N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine.
Physical properties of Benzenemethanamine,N-methyl-3-(4-morpholinylmethyl)- are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.42; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 65.92 cm3; (15)Molar Volume: 208.4 cm3; (16)Polarizability: 26.13×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 145 °C; (20)Enthalpy of Vaporization: 55.74 kJ/mol; (21)Boiling Point: 316.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000419 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical will cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O2CCN(Cc1cc(ccc1)CNC)CC2
(2)InChI: InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3
(3)InChIKey: JZMYRFZAMCXUIF-UHFFFAOYSA-N