-
Name
5-[(3-chlorophenyl)amino]-Benzo[c]-2,6-naphthyridine-8-carboxylic acid
- EINECS
- CAS No. 1009820-21-6
- Article Data4
- CAS DataBase
- Density 1.491 g/cm3
- Solubility
- Melting Point
- Formula C19H12ClN3O2
- Boiling Point 568.45 °C at 760 mmHg
- Molecular Weight 349.77
- Flash Point 297.588 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms CX 4945;5-[(3-Chlorophenyl)amino]benzo[c]-2,6-naphthyridine-8-carboxylic acid;
- PSA 75.11000
- LogP 4.95120
CX-4945 Specification
The CX-4945, with the CAS registry number 1009820-21-6, is also known as Benzo[c]-2,6-naphthyridine-8-carboxylic acid, 5-[(3-chlorophenyl)amino]-. This chemical's molecular formula is C19H12ClN3O2 and molecular weight is 349.77. What's more, both its IUPAC name and systematic name are the same which is called 5-(3-Chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
Physical properties about CX-4945 are: (1)ACD/LogP: 4.003; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 8.23; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 45.48; (8)ACD/KOC (pH 7.4): 3.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 75.11 Å2; (13)Index of Refraction: 1.789; (14)Molar Refractivity: 99.32 cm3; (15)Molar Volume: 234.634 cm3; (16)Polarizability: 39.374×10-24 cm3; (17)Surface Tension: 76.792 dyne/cm; (18)Density: 1.491 g/cm3; (19)Flash Point: 297.588 °C; (20)Enthalpy of Vaporization: 89.748 kJ/mol; (21)Boiling Point: 568.45 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
(2) InChI: InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
(3) InChIKey: MUOKSQABCJCOPU-UHFFFAOYSA-N
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