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| CAS No.: | 82378-86-7 |
|---|---|
| Name: | 4-Amino-1-benzyl-3-methylpiperidine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C13H20N2 |
| Molecular Weight: | 204.315 |
| Synonyms: | 4-Amino-1-benzyl-3-methylpiperidine;4-PiperidinaMine, 3-Methyl-1-(phenylMethyl)-;1-benzyl-3-Methylpiperidin-4-aMine;1-Benzyl-3-methylpiperidin-4-ylamine |
| Density: | 1.005 g/cm3 |
| Boiling Point: | 291.136 °C at 760 mmHg |
| Flash Point: | 120.985 °C |
| PSA: | 29.26000 |
| LogP: | 2.49390 |
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- Total:12 Page 1 of 1 1
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Specification
The 4-Amino-1-benzyl-3-methylpiperidine, with the CAS registry number 82378-86-7, has the systematic name 1-benzyl-3-methylpiperidin-4-amine. Its molecular formula is C13H20N2 and its molecular weight is 204.3113. Additionally, its product category is Pharmacetical.
Other characteristics of the 4-Amino-1-benzyl-3-methylpiperidine can be summarised as followings: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.26 Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 64.053 cm3; (13)Molar Volume: 203.381 cm3; (14)Polarizability: 25.392×10-24cm3; (15)Surface Tension: 38.496 dyne/cm; (16)Density: 1.005 g/cm3; (17)Flash Point: 120.985 °C; (18)Enthalpy of Vaporization: 53.055 kJ/mol; (19)Boiling Point: 291.136 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: NC2CCN(Cc1ccccc1)CC2C
2.InChI: InChI=1/C13H20N2/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
3.InChIKey: MGTFEKWKCLDVNN-UHFFFAOYAU