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69021-85-8

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Basic Information
CAS No.: 69021-85-8
Name: TRIS(ISOPROPYLCYCLOPENTADIENYL)NEODYMIUM
Molecular Structure:
Molecular Structure of 69021-85-8 (TRIS(ISOPROPYLCYCLOPENTADIENYL)NEODYMIUM)
Formula: C24H33Nd
Molecular Weight: 465.76
Synonyms: 1,3-Cyclopentadiene,1-(1-methylethyl)-, neodymium complex;Tris(isopropylcyclopentadienyl)neodymium;
Boiling Point: 127.2 ºC at 760 mmHg
Flash Point: 13.9 °C
PSA: 0.00000
LogP: 6.57540
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Specification

The Neodymium,tris[(1,2,3,4,5-eta)-1-(1-methylethyl)-2,4-cyclopentadien-1-yl]-, with the CAS registry number 69021-85-8, is also known as Tris(isopropylcyclopentadienyl)neodymium. This chemical's molecular formula is C24H33Nd and formula weight is 465.76. What's more, its systematic name is 5-isopropylcyclopenta-1,3-diene; isopropylcyclopentane; neodymium.

Physical properties of Neodymium,tris[(1,2,3,4,5-eta)-1-(1-methylethyl)-2,4-cyclopentadien-1-yl]- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)#Freely Rotating Bonds: 1; (4)Flash Point: 13.9 °C; (5)Enthalpy of Vaporization: 34.99 kJ/mol; (6)Boiling Point: 127.2 °C at 760 mmHg; (7)Vapour Pressure: 13.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Nd].c1c[c-](cc1)C(C)C.c1[c-](ccc1)C(C)C.[CH-]1[CH-][CH-][CH-][C-]1C(C)C
(2)InChI: InChI=1S/3C8H11.Nd/c3*1-7(2)8-5-3-4-6-8;/h3*3-7H,1-2H3;/q-5;2*-1
(3)InChIKey: JAZJMPGJOJBJHE-UHFFFAOYSA-