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| CAS No.: | 160357-94-8 |
|---|---|
| Name: | 1-Acetylpiperidin-4-amine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H14N2O |
| Molecular Weight: | 142.201 |
| Synonyms: | 4-Piperidinamine,1-acetyl- (9CI);(1-Acetyl-4-piperidinyl)amine;1-(4-Aminopiperidin-1-yl)ethanone;1-Acetyl-4-aminopiperidine;4-Amino-1-acetylpiperidine; |
| Density: | 1.043 g/cm3 |
| Boiling Point: | 273.642 °C at 760 mmHg |
| Flash Point: | 119.295 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26 |
| Transport Information: | UN 2735 |
| PSA: | 46.33000 |
| LogP: | 0.59420 |
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Specification
The IUPAC name of 1-Acetylpiperidin-4-amine is 1-(4-aminopiperidin-1-yl)ethanone. With the CAS registry number 160357-94-8, it is also named as 4-Amino-N-1-acetylpiperidine. The product's categories are amines, pyrans, piperidines & piperazines, pyrans and piperidines & piperazines. In addition, its molecular formula is C7H14N2O and molecular weight is 142.2.
The other characteristics of 1-Acetylpiperidin-4-amine can be summarized as: (1)H bond acceptors: 3; (2)H bond donors: 2; (3)Freely Rotating Bonds: 1; (4)XLogP3-AA: -0.7; (5)Rotatable Bond Count: 0; (6)Exact Mass: 142.110613; (7)MonoIsotopic Mass: 142.110613; (8)Topological Polar Surface Area: 46.3; (9)Heavy Atom Count: 10; (10)Complexity: 128; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 39.38 cm3; (13)Molar Volume: 136.3 cm3; (14)Polarizability: 15.61×10-24cm3; (15)Surface Tension: 38.6 dyne/cm; (16)Density: 1.042 g/cm3; (17)Flash Point: 119.3 °C; (18)Enthalpy of Vaporization: 51.2 kJ/mol; (19)Boiling Point: 273.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00566 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
SMILES:O=C(N1CCC(N)CC1)C
InChI:InChI=1/C7H14N2O/c1-6(10)9-4-2-7(8)3-5-9/h7H,2-5,8H2,1H3
InChIKey:NLHBHVGPMMXWIM-UHFFFAOYAF
Std. InChI:InChI=1S/C7H14N2O/c1-6(10)9-4-2-7(8)3-5-9/h7H,2-5,8H2,1H3
Std. InChIKey:NLHBHVGPMMXWIM-UHFFFAOYSA-N