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Name |
Hexanediamide,N1,N6-bis(4-aminophenyl)- |
EINECS | 247-507-5 |
CAS No. | 26179-35-1 | Density | 1.284 g/cm3 |
PSA | 110.24000 | LogP | 4.29700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H22N4O2 | Boiling Point | 531.3 °C at 760 mmHg |
Molecular Weight | 326.398 | Flash Point | 275.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hexanediamide,N,N'-bis(4-aminophenyl)- (9CI);Hexanedianilide, 4',4''-diamino- (8CI);N,N'-Bis(4-aminophenyl)adipamide; |
Article Data | 2 |
The Hexanediamide,N1,N6-bis(4-aminophenyl)-, with the CAS registry number 26179-35-1, is also known as N,N'-Bis(4-aminophenyl)adipamide. Its EINECS registry number is 247-507-5. This chemical's molecular formula is C18H22N4O2 and molecular weight is 326.3929. What's more, its systematic name is N,N'-Bis(4-aminophenyl)hexanediamide.
Physical properties about Hexanediamide,N1,N6-bis(4-aminophenyl)- are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 37.7; (8)ACD/KOC (pH 7.4): 62.1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 96.73 cm3; (15)Molar Volume: 254 cm3; (16)Polarizability: 38.35×10-24 cm3; (17)Surface Tension: 64.8 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 275.1 °C; (20)Enthalpy of Vaporization: 80.68 kJ/mol; (21)Boiling Point: 531.3 °C at 760 mmHg; (22)Vapour Pressure: 2.27E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)N)CCCCC(=O)Nc2ccc(N)cc2
(2)InChI: InChI=1/C18H22N4O2/c19-13-5-9-15(10-6-13)21-17(23)3-1-2-4-18(24)22-16-11-7-14(20)8-12-16/h5-12H,1-4,19-20H2,(H,21,23)(H,22,24)
(3)InChIKey: HVCRWARLEIATFU-UHFFFAOYAA