-
Name
1-(4-METHOXYPHENETHYL)-4-AMINOPIPERIDINE
- EINECS 285-422-5
- CAS No. 85098-70-0
- Article Data5
- CAS DataBase
- Density 1.03 g/cm3
- Solubility
- Melting Point 30-32 °C
- Formula C14H22N2O
- Boiling Point 346.6 °C at 760 mmHg
- Molecular Weight 234.341
- Flash Point 163.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-(4-Methoxyphenethyl)-4-aminopiperidine;R 48970;
- PSA 38.49000
- LogP 2.29900
4-Amino-1-[2-(4-methoxyphenyl)ethyl]piperidine Specification
The 4-Piperidinamine,1-[2-(4-methoxyphenyl)ethyl]-, with the CAS registry number 85098-70-0, is also known as 4-Amino-1-[2-(4-methoxyphenyl)ethyl]piperidine. Its molecular formula is C14H22N2O and its molecular weight is 234.34. Additionally, its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine and its EINECS is 285-422-5.
Other characteristics of the 4-Piperidinamine,1-[2-(4-methoxyphenyl)ethyl]- can be summarised as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.1; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 70.67 cm3; (15)Molar Volume: 227.3 cm3; (16)Polarizability: 28.01×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 163.4 °C; (20)Enthalpy of Vaporization: 59.08 kJ/mol; (21)Boiling Point: 346.6 °C at 760 mmHg; (22)Vapour Pressure: 5.68E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(cc1)CCN2CCC(N)CC2)C
2.InChI: InChI=1/C14H22N2O/c1-17-14-4-2-12(3-5-14)6-9-16-10-7-13(15)8-11-16/h2-5,13H,6-11,15H2,1H3
3.InChIKey: HTGMIBQQTLUEKV-UHFFFAOYAL
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