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| CAS No.: | 42837-37-6 |
|---|---|
| Name: | (4-Aminophenyl)piperidin-1-ylmethanone |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C12H16N2O |
| Molecular Weight: | 204.272 |
| Synonyms: | Piperidine,1-(4-aminobenzoyl)- (9CI);Piperidine, 1-(p-aminobenzoyl)- (7CI);(4-Aminobenzoyl)-1-piperidide;1-(4-Aminobenzoyl)piperidine;1-(p-Aminobenzoyl)piperidine;4-(1-Piperidinylcarbonyl)aniline;N-(p-Aminobenzoyl)piperidine; |
| Density: | 1.155 g/cm3 |
| Melting Point: | 161-162 °C |
| Boiling Point: | 402.4 °C at 760 mmHg |
| Flash Point: | 197.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36-36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.33000 |
| LogP: | 2.41400 |
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- Total:22 Page 1 of 1 1
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Specification
The (4-Aminophenyl)piperidin-1-ylmethanone, with the CAS registry number 42837-37-6, is also called Methanone, (4-aminophenyl)-1-piperidinyl-. It is a kind of irritant chemical, and should be stored at dry and cool environment. And the molecular formula of the chemical is C12H16N2O.
The characteristics of (4-Aminophenyl)piperidin-1-ylmethanone are as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 1.94; (7)ACD/KOC (pH 5.5): 55.56; (8)ACD/KOC (pH 7.4): 55.86; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 60.5 cm3; (15)Molar Volume: 176.8 cm3; (16)Polarizability: 23.98×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.155 g/cm3; (19)Flash Point: 197.2 °C; (20)Enthalpy of Vaporization: 65.35 kJ/mol; (21)Boiling Point: 402.4 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(N)cc1)N2CCCCC2
(2)InChI: InChI=1/C12H16N2O/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9,13H2
(3)InChIKey: FQEGZNLIOFLYNI-UHFFFAOYAG