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Pyroporphyrin dimethyl ester

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Name

Pyroporphyrin dimethyl ester

EINECS 234-195-0
CAS No. 10589-94-3 Density 1.227 g/cm3
PSA 108.90000 LogP 3.01820
Solubility N/A Melting Point 217-220 °C(lit.)
Formula C32H34N4O4 Boiling Point 996.386 °C at 760 mmHg
Molecular Weight 538.646 Flash Point 556.394 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10589-94-3 (Pyroporphyrin dimethyl ester) Hazard Symbols IrritantXi
Synonyms

2,18-Porphinedipropionicacid, 3,7,12,17-tetramethyl-, dimethyl ester (8CI);21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dimethyl ester(9CI);Deuteroporphyrin IX dimethyl ester (6CI,7CI);Dimethyl3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;NSC 17451;

Article Data 30

Pyroporphyrin dimethyl ester Specification

This chemical is called Pyroporphyrin dimethyl ester, and it can also be named as Deuteroporphyrin IX dimethyl ester. With the molecular formula of C32H34N4O4, its molecular weight is 538.64. The CAS registry number of this chemical is 10589-94-3. Additionally, its product categories are Natural Porphyrins and Derivitives; Porphyrins. This chemical should be sealed in the cool and dry place.

Other characteristics of the Pyroporphyrin dimethyl ester can be summarised as followings: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 109.96 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 150.595 cm3; (9)Molar Volume: 439.152 cm3; (10)Polarizability: 59.701×10-24cm3; (11)Surface Tension: 53.402 dyne/cm; (12)Density: 1.227 g/cm3; (13)Flash Point: 556.394 °C; (14)Enthalpy of Vaporization: 145.552 kJ/mol; (15)Boiling Point: 996.386 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: COC(=O)CC/C5=C(\C)c1nc5cc4nc(cc3/C=C(/C)c(cc2nc(c1)c(C)c2)n3)c(C)c4CCC(=O)OC
2.InChI: InChI=1/C32H34N4O4/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22/h11-16,34-35H,7-10H2,1-6H3/b21-13-,22-14-,25-13-,26-15-,27-14-,28-15-,29-16-,30-16-
3.InChIKey: JDWKDJYBNJTDOW-RWJCOFQGBY

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