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CAS No.: | 30672-46-9 |
---|---|
Name: | PIPERIDINE-3-CARBOXYLIC ACID (3-HYDROXY-PROPYL)-AMIDE |
Molecular Structure: | |
Formula: | C8H16N2O2 |
Molecular Weight: | 186.25 |
Synonyms: | Isonipecotamide,N-(2-hydroxyethyl)- (7CI,8CI);Piperidine-4-carboxylic acid(2-hydroxyethyl)amide; |
Density: | 1.099 g/cm3 |
Melting Point: | 132-134°C |
Boiling Point: | 408.5 °C at 760 mmHg |
Flash Point: | 200.9 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 61.36000 |
LogP: | -0.18580 |
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The 4-Piperidinecarboxamide,N-(2-hydroxyethyl)-, with the CAS registry number 30672-46-9, is also known as Piperidine-4-carboxylic acid (2-hydroxyethyl)amide. Its molecular formula is C8H16N2O2 and its molecular weight is 186.25. Additionally, it has the IUPAC name N-(2-hydroxyethyl)piperidine-4-carboxamide.
Other characteristics of the 4-Piperidinecarboxamide,N-(2-hydroxyethyl)- can be summarised as followings: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.51; (4)ACD/LogD (pH 7.4): -4.09; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 45.37 cm3; (15)Molar Volume: 156.5 cm3; (16)Polarizability: 17.98×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 200.9 °C; (20)Enthalpy of Vaporization: 76.33 kJ/mol; (21)Boiling Point: 408.5 °C at 760 mmHg; (22)Vapour Pressure: 2.23E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NCCO)C1CCNCC1
2.InChI: InChI=1/C8H16N2O2/c11-6-5-10-8(12)7-1-3-9-4-2-7/h7,9,11H,1-6H2,(H,10,12)
3.InChIKey: SGUNZEMSKPUFDM-UHFFFAOYAU