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| Name |
1,2-Ethanediamine,N,N,N',N'-tetrakis(2-pyridinylmethyl)- |
EINECS | N/A |
| CAS No. | 16858-02-9 | Density | 1.186 g/cm3 |
| PSA | 58.04000 | LogP | 3.97120 |
| Solubility | Soluble in DMSO(100 mg/10 ml-clear, colorless solution); slightly soluble in water | Melting Point |
110-112 °C |
| Formula | C26H28N6 | Boiling Point | 542.1 °C at 760 mmHg |
| Molecular Weight | 424.549 | Flash Point | 281.7 °C |
| Transport Information | N/A | Appearance | Colourless Crystals |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Pyridine,2,2',2'',2'''-[ethylenebis(nitrilodimethylene)]tetra- (8CI);N,N,N',N'-Tetrakis(2-pyridylmethyl)-1,2-ethanediamine;N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine;N,N,N',N'-Tetrakis(pyridin-2-yl-methyl)ethylenediamine;TPEDA;TPEN; |
1,2-Ethanediamine,N,N,N',N'-tetrakis(2-pyridinylmethyl)- Specification
The 1,2-Ethanediamine,N,N,N',N'-tetrakis(2-pyridinylmethyl)-, with CAS registry number 16858-02-9, belongs to the following product categories: (1)Apoptosis; (2)Aromatics; (3)Chelating Agents & Ligands; (4)Heterocycles; (5)Inhibitors; (6)Apoptosis Inducers. It has the systematic name of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine. This chemical is a kind of colourless crystals. And the chemical formula of this chemical is C26H28N6.
Physical properties of 1,2-Ethanediamine,N,N,N',N'-tetrakis(2-pyridinylmethyl)-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 34.45; (6)ACD/BCF (pH 7.4): 64.07; (7)ACD/KOC (pH 5.5): 366.69; (8)ACD/KOC (pH 7.4): 681.86; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 58.04 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 127.6 cm3; (15)Molar Volume: 357.7 cm3; (16)Polarizability: 50.58×10-24cm3; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 281.7 °C; (20)Enthalpy of Vaporization: 82.02 kJ/mol; (21)Boiling Point: 542.1 °C at 760 mmHg; (22)Vapour Pressure: 8.14E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1,2-Ethanediamine,N,N,N',N'-tetrakis(2-pyridinylmethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccccc1CN(Cc2ncccc2)CCN(Cc3ncccc3)Cc4ncccc4
(2)InChI: InChI=1/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2
(3)InChIKey: CVRXLMUYFMERMJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2
(5)Std. InChIKey: CVRXLMUYFMERMJ-UHFFFAOYSA-N
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