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| CAS No.: | 159724-40-0 |
|---|---|
| Name: | 3-(4-Morpholinyl)aniline |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C10H14N2O |
| Molecular Weight: | 178.234 |
| Synonyms: | 3-(4-Morpholinyl)aniline;3-(4-Morpholinyl)benzenamine;3-Morpholinoaniline;3-[Morpholin-4-yl]phenylamine;4-(3-Aminophenyl)morpholine; |
| Density: | 1.149g/cm3 |
| Melting Point: | 118 °C |
| Boiling Point: | 369.905 °C at 760 mmHg |
| Flash Point: | 177.513 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-36/37/39-26 |
| PSA: | 38.49000 |
| LogP: | 1.75160 |
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Specification
The 3-(4-Morpholinyl)aniline, with CAS registry number 159724-40-0, belongs to the following product categories: (1)Amines and Anilines; (2)Heterocycles; (3)pharmacetical; (4)Amines; (5)Phenyls & Phenyl-Het. Its systematic name and its IUPAC name are the same, which is 3-(morpholin-4-yl)aniline.
Physical properties about this chemical are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.011; (4)ACD/LogD (pH 7.4): 1.336; (5)ACD/BCF (pH 5.5): 2.874; (6)ACD/BCF (pH 7.4): 6.082; (7)ACD/KOC (pH 5.5): 59.635; (8)ACD/KOC (pH 7.4): 126.199; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.49 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 52.299 cm3; (15)Molar Volume: 155.025 cm3; (16)Polarizability: 20.733×10-24cm3; (17)Surface Tension: 48.455 dyne/cm; (18)Enthalpy of Vaporization: 61.674 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-(4-Morpholinyl)aniline irritates to eyes, respiratory system and skin. 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. Besides this, this chemical is harmful by inhalation, in contact with skin and if swallowed. Please do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)N2CCOCC2)N
(2)InChI: InChI=1/C10H14N2O/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7,11H2
(3)InChIKey: ZJWLMZURLIHVHE-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H14N2O/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7,11H2
(5)Std. InChIKey: ZJWLMZURLIHVHE-UHFFFAOYSA-N