1,2-Ethanediamine,N,N,N',N'-tetrakis(2-pyridinylmethyl)- supplier

Name
TPEN
EINECS
CAS No. 16858-02-9
Density 1.186 g/cm³
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
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;
PSA 58.04000
LogP 3.97120

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

Product Name

TPEN

1,2-Ethanediamine,N,N,N',N'-tetrakis(2-pyridinylmethyl)- Specification

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