1,3-Benzenedicarboxamide,N1,N3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy- supplier

Name
1,3-Benzenedicarboxamide,N1,N3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy-
EINECS
CAS No. 21695-94-3
Density 1.41g/cm³
Solubility
Melting Point
Formula C₂₇H₂₈N₈O₃
Boiling Point
Molecular Weight 512.563
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzenedicarboxamide,N,N'-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy- (9CI);Isophthalanilide, 4',4''-bis(2-imidazolin-2-ylamino)-5-methoxy- (8CI);
PSA
LogP

1,3-Benzenedicarboxamide,N1,N3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy- Specification

The 1,3-Benzenedicarboxamide,N1,N3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy-, with CAS registry number 21695-94-3, has the systematic name of N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-5-methoxybenzene-1,3-dicarboxamide. And the chemical formula of this chemical is C₂₇H₂₈N₈O₃.

Physical properties of 1,3-Benzenedicarboxamide,N1,N3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy-: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 11; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 87.53 Å²; (7)Index of Refraction: 1.711; (8)Molar Refractivity: 141.57 cm³; (9)Molar Volume: 361.8 cm³; (10)Polarizability: 56.12×10^-24cm³; (11)Surface Tension: 59.2 dyne/cm; (12)Density: 1.41 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ccc(NC/1=N/CCN\1)cc2)c3cc(OC)cc(c3)C(=O)Nc5ccc(N/C4=N/CCN4)cc5
(2)InChI: InChI=1/C27H28N8O3/c1-38-23-15-17(24(36)32-19-2-6-21(7-3-19)34-26-28-10-11-29-26)14-18(16-23)25(37)33-20-4-8-22(9-5-20)35-27-30-12-13-31-27/h2-9,14-16H,10-13H2,1H3,(H,32,36)(H,33,37)(H2,28,29,34)(H2,30,31,35)
(3)InChIKey: XBDBSZSSAIKKGB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C27H28N8O3/c1-38-23-15-17(24(36)32-19-2-6-21(7-3-19)34-26-28-10-11-29-26)14-18(16-23)25(37)33-20-4-8-22(9-5-20)35-27-30-12-13-31-27/h2-9,14-16H,10-13H2,1H3,(H,32,36)(H,33,37)(H2,28,29,34)(H2,30,31,35)
(5)Std. InChIKey: XBDBSZSSAIKKGB-UHFFFAOYSA-N

Product Name

1,3-Benzenedicarboxamide,N1,N3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy-

1,3-Benzenedicarboxamide,N1,N3-bis[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-5-methoxy- Specification

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