Methanone,(2-aminophenyl)-1-piperidinyl- supplier

Name
(2-aminophenyl)-(1-piperidyl)methanone
EINECS
CAS No. 39630-25-6
Article Data12
CAS DataBase
Density 1.155 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂O
Boiling Point 388.6 °C at 760 mmHg
Molecular Weight 204.272
Flash Point 188.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Amino-phenyl)-piperidin-1-yl-methanone;
PSA 46.33000
LogP 2.41400

Methanone,(2-aminophenyl)-1-piperidinyl- Specification

The Methanone,(2-aminophenyl)-1-piperidinyl-, with the CAS registry number of 39630-25-6, is also known as (2-Amino-phenyl)-piperidin-1-yl-methanone. Its molecular formula is C₁₂H₁₆N₂O and molecular weight is 204.2682. What's more, its IUPAC name is (2-Aminophenyl)-piperidin-1-ylmethanone.

Physical properties about the Methanone,(2-aminophenyl)-1-piperidinyl- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.78; (6)ACD/BCF (pH 7.4): 4.78; (7)ACD/KOC (pH 5.5): 106.6; (8)ACD/KOC (pH 7.4): 106.62; (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)Surface Tension: 51.6 dyne/cm; (17)Density: 1.155 g/cm³; (18)Flash Point: 188.8 °C; (19)Enthalpy of Vaporization: 63.78 kJ/mol; (20)Boiling Point: 388.6 °C at 760 mmHg; (21)Vapour Pressure: 3.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1N)N2CCCCC2
(2) InChI: InChI=1/C12H16N2O/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9,13H2
(3) InChIKey: YJTQPHOSNYIGPC-UHFFFAOYAB

Product Name

(2-aminophenyl)-(1-piperidyl)methanone

Methanone,(2-aminophenyl)-1-piperidinyl- Specification

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