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CAS No.: | 27969-75-1 |
---|---|
Name: | 3-Piperidin-1-ylaniline |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C11H16N2 |
Molecular Weight: | 176.261 |
Synonyms: | Piperidine,1-(m-aminophenyl)- (8CI);1-(3-Aminophenyl)piperidine;1-Amino-3-piperidinobenzene;3-(Piperidin-1-yl)phenylamine;N-(m-Aminophenyl)piperidine;m-Piperidinoaniline; |
Density: | 1.074 g/cm3 |
Boiling Point: | 346.7 °C at 760 mmHg |
Flash Point: | 141.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 23-26-36/37/39 |
PSA: | 29.26000 |
LogP: | 2.90530 |
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The 3-Piperidin-1-ylaniline, with the CAS registry number 27969-75-1, is also known as 3-(1-Piperidino)aniline and 1-(3-Aminophenyl)piperidine. This chemical's molecular formula is C11H16N2 and formula weight is 176.26. What's more, its systematic name is called 3-Piperidin-1-ylaniline.
Physical properties about this chemical are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 10.62; (7)ACD/KOC (pH 5.5): 26.83; (8)ACD/KOC (pH 7.4): 184.7; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 55.3 cm3; (15)Molar Volume: 163.9 cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.074 g/cm3; (18)Flash Point: 141.1 °C; (19)Enthalpy of Vaporization: 59.09 kJ/mol; (20)Boiling Point: 346.7 °C at 760 mmHg; (21)Vapour Pressure: 5.64E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It will irritate to eyes, respiratory system and skin. You should not breathe its gas/fumes/vapour/spray. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: c1(cc(ccc1)N2CCCCC2)N
(2)InChI: InChI=1/C11H16N2/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2
(3)InChIKey: HHPBFHJCBMETRO-UHFFFAOYAN