1,4-Butanediamine, N,N'-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)- supplier

Name
1,4-Butanediamine, N,N'-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)-
EINECS
CAS No. 57576-49-5
Density 1.284 g/cm³
Solubility
Melting Point
Formula C₃₈H₄₂Cl₂N₆O₂
Boiling Point 885.4 °C at 760 mmHg
Molecular Weight 685.6851
Flash Point 489.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N,N-bis[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl]butane-1,4-diamine;1,4-Butanediamine, N,N-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)-;
PSA
LogP

1,4-Butanediamine, N,N'-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)- Specification

The 1,4-Butanediamine, N,N'-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)-, with the CAS registry number 57576-49-5, has the IUPAC name N,N'-bis[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]butane-1,4-diamine. Its molecular formula is C₃₈H₄₂Cl₂N₆O₂ and its molecular weight is 685.6851.

Other characteristics of the 1,4-Butanediamine, N,N'-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)- can be summarised as followings: (1)ACD/LogP: 5.61; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.23; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 57.2 Å²; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 204.62 cm³; (14)Molar Volume: 533.7 cm³; (15)Polarizability: 81.12×10^-24cm³; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.284 g/cm³; (18)Flash Point: 489.3 °C; (19)Enthalpy of Vaporization: 128.71 kJ/mol; (20)Boiling Point: 885.4 °C at 760 mmHg; (21)Vapour Pressure: 6.11E-32 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc6ccc2c(nc1ccc(OC)cc1c2NCCCNCCCCNCCCNc3c5c(nc4c3ccc(Cl)c4)ccc(OC)c5)c6
2.InChI: InChI=1/C38H42Cl2N6O2/c1-47-27-9-13-33-31(23-27)37(29-11-7-25(39)21-35(29)45-33)43-19-5-17-41-15-3-4-16-42-18-6-20-44-38-30-12-8-26(40)22-36(30)46-34-14-10-28(48-2)24-32(34)38/h7-14,21-24,41-42H,3-6,15-20H2,1-2H3,(H,43,45)(H,44,46)
3.InChIKey: NMKIHZILXGGHHL-UHFFFAOYAP

Product Name

1,4-Butanediamine, N,N'-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)-

1,4-Butanediamine, N,N'-bis(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)- Specification

Related Products

Hot Products