(4-Aminophenyl)piperidin-1-ylmethanone supplier

Name
(4-Aminophenyl)piperidin-1-ylmethanone
EINECS
CAS No. 42837-37-6
Article Data16
CAS DataBase
Density 1.155 g/cm³
Solubility
Melting Point 161-162 °C
Formula C₁₂H₁₆N₂O
Boiling Point 402.4 °C at 760 mmHg
Molecular Weight 204.272
Flash Point 197.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36-36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 46.33000
LogP 2.41400

(4-Aminophenyl)piperidin-1-ylmethanone 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

Product Name

(4-Aminophenyl)piperidin-1-ylmethanone

(4-Aminophenyl)piperidin-1-ylmethanone Specification

Related Products

Hot Products