-
Name
6-[(2-Aminoethyl)amino]-7-chloro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid
- EINECS
- CAS No. 528851-85-6
- Article Data4
- CAS DataBase
- Density 1.563 g/cm3
- Solubility
- Melting Point
- Formula C15H16ClN3O3
- Boiling Point 583.1 °C at 760 mmHg
- Molecular Weight 321.76
- Flash Point 306.5 °C
- Transport Information
- Appearance Yellow powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-[(2-Aminoethyl)amino]-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
- PSA 97.35000
- LogP 2.83190
6-[(2-Aminoethyl)amino]-7-chloro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid Specification
The 6-[(2-Aminoethyl)amino]-7-chloro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid has the CAS registry number 528851-85-6. This chemical's molecular formula is C15H16ClN3O3 and molecular weight is 321.76. What's more, its systematic name is 6-[(2-Aminoethyl)amino]-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and it belongs to the product categories of Aromatics Compounds; Aromatics; Miscellaneous Reagents.
Physical properties of 6-[(2-Aminoethyl)amino]-7-chloro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 95.66 Å2; (11)Index of Refraction: 1.732; (12)Molar Refractivity: 82.38 cm3; (13)Molar Volume: 205.8 cm3; (14)Polarizability: 32.65×10-24 cm3; (15)Surface Tension: 89 dyne/cm; (16)Density: 1.563 g/cm3; (17)Flash Point: 306.5 °C; (18)Enthalpy of Vaporization: 91.68 kJ/mol; (19)Boiling Point: 583.1 °C at 760 mmHg; (20)Vapour Pressure: 1.93E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C/2=C/N(c1cc(Cl)c(NCCN)cc1C\2=O)C3CC3
(2)InChI: InChI=1/C15H16ClN3O3/c16-11-6-13-9(5-12(11)18-4-3-17)14(20)10(15(21)22)7-19(13)8-1-2-8/h5-8,18H,1-4,17H2,(H,21,22)
(3)InChIKey: KFFLFXHSHZOQHH-UHFFFAOYSA-N
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