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| CAS No.: | 39633-82-4 |
|---|---|
| Name: | (1,4'-Bipiperidine)-4'-carboxamide |
| Molecular Structure: | |
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| Formula: | C11H21N3O |
| Molecular Weight: | 211.307 |
| Synonyms: | 1,4'-Bipiperidinyl-4'-carboxamide;4-(1-Piperidinyl)-4-(aminocarbonyl)piperidine;4-Carbamoyl-4-(1-piperidinyl)piperidine;4-Carbamoyl-4-piperidinopiperidine;NSC 76044;[1,4']Bipiperidinyl-4'-carboxylic acid amide; |
| EINECS: | 254-548-2 |
| Density: | 1.109 g/cm3 |
| Melting Point: | 129-132 ºC |
| Boiling Point: | 388.5 °C at 760 mmHg |
| Flash Point: | 188.7 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 C,  Xn
|
| Risk Codes: | 34-22-36/37/38-20/21/22 |
| Safety: | 45-36/37/39-26-36 |
| PSA: | 58.36000 |
| LogP: | 1.04680 |
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- Total:21 Page 1 of 1 1
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Specification
The IUPAC name of (1,4'-Bipiperidine)-4'-carboxamide is 4-Piperidin-1-ylpiperidine-4-carboxamide. With the CAS registry number 39633-82-4, it is also named as 4-(1-Piperidinyl)-4-(aminocarbonyl)piperidine. Besides, it is white powder, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C11H21N3O and molecular weight is 211.3.
The other characteristics of this product can be summarized as: (1)EINECS: 254-548-2; (2)ACD/LogP: 0.29; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.98; (5)ACD/LogD (pH 7.4): -1.71; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 3; (12)Freely Rotating Bonds: 2; (13)Polar Surface Area: 26.79 Å2; (14)Index of Refraction: 1.532; (15)Molar Refractivity: 59.08 cm3; (16)Molar Volume: 190.5 cm3; (17)Polarizability: 23.42×10-24cm3; (18)Surface Tension: 46.4 dyne/cm; (19)Density: 1.109 g/cm3; (20)Flash Point: 188.7 °C; (21)Melting point: 129-132 °C; (22)Enthalpy of Vaporization: 63.77 kJ/mol; (23)Boiling Point: 388.5 °C at 760 mmHg; (24)Vapour Pressure: 3.06E-06 mmHg at 25 °C.
Uses of (1,4'-Bipiperidine)-4'-carboxamide: it can react with Phosphonic acid diethyl ester and 4-Hydroxy-3-methoxy-benzaldehyde to get [(4'-Carbamoyl-[1,4']bipiperidinyl-1'-yl)-(4-hydroxy-3-methoxy-phenyl)-methyl]-phosphonic acid diethyl ester.
This reaction needs Ethanol at temperature of 60-70 °C. The yield is 75 %.
When you are using this chemical, please be cautious about it as the following: (1,4'-Bipiperidine)-4'-carboxamide is harmful by inhalation, in contact with skin and if swallowed, and irritating to eyes, respiratory system and skin. Besides, it may cause burns. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(N)C2(N1CCCCC1)CCNCC2
(2)InChI:InChI=1/C11H21N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)
(3)InChIKey:AUXZEVXPRCVGAO-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C11H21N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)
(5)Std. InChIKey:AUXZEVXPRCVGAO-UHFFFAOYSA-N