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5330-53-0

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Basic Information
CAS No.: 5330-53-0
Name: N~4~-{bis[4-(dimethylamino)phenyl]methylidene}-N~1~,N~1~-diethylpentane-1,4-diamine 2-hydroxypropane-1,2,3-tricarboxylate (1:1)
Molecular Structure:
Molecular Structure of 5330-53-0 (N~4~-{bis[4-(dimethylamino)phenyl]methylidene}-N~1~,N~1~-diethylpentane-1,4-diamine 2-hydroxypropane-1,2,3-tricarboxylate (1:1))
Formula: C32H48N4O7
Molecular Weight: 600.7461
Boiling Point: 518.4 °C at 760mmHg
Flash Point: 267.3 °C
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Specification

The IUPAC name of N~4~-{bis[4-(dimethylamino)phenyl]methylidene}-N~1~,N~1~-diethylpentane-1,4-diamine 2-hydroxypropane-1,2,3-tricarboxylate (1:1) is 4-[N-[5-(diethylamino)pentan-2-yl]-C-(4-dimethylaminophenyl)carbonimidoyl]-N,N-dimethylaniline; 2-hydroxypropane-1,2,3-tricarboxylicacid. The CAS registry number is 5330-53-0. In addition, the price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Flash Point: 267.3 °C; (7)Enthalpy of Vaporization: 79.09 kJ/mol; (8)Boiling Point: 518.4 °C at 760 mmHg; (9)Vapour Pressure: 7.5E-11 mmHg at 25°C; (10)Rotatable Bond Count: 16; (11)Exact Mass: 600.3523; (12)MonoIsotopic Mass: 600.3523; (13)Topological Polar Surface Area: 154; (14)Heavy Atom Count: 43; (15)Complexity: 679; (16)Undefined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure. 
1. SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.N(=C(\c1ccc(N(C)C)cc1)c2ccc(N(C)C)cc2)\C(C)CCCN(CC)CC;
2. InChI: InChI=1/C26H40N4.C6H8O7/c1-8-30(9-2)20-10-11-21(3)27-26(22-12-16-24(17-13-22)28(4)5)23-14-18-25(19-15-23)29(6)7;7-3(8)1-6(13,5(11)12)2-4(9)10/h12-19,21H,8-11,20H2,1-7H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).