5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butyric acid supplier

Name
5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butyric acid
EINECS
CAS No. 332884-21-6
Article Data2
CAS DataBase
Density 1.184g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂O₂
Boiling Point 427.267 °C at 760 mmHg
Molecular Weight 220.271
Flash Point 212.204 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,8-Naphthyridine-2-butanoicacid, 1,5,6,7-tetrahydro- (9CI);
PSA 62.22000
LogP 1.98500

5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butyric acid Specification

The 5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butyric acid with the cas number 332884-21-6 is also called 1,8-Naphthyridine-2-butanoic acid, 5,6,7,8-tetrahydro-. The systematic name is 4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid. Its molecular formula is C₁₂H₁₆N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.78; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 62.22 Å²; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 60.246 cm³; (13)Molar Volume: 185.976 cm³; (14)Polarizability: 23.883×10^-24cm³; (15)Surface Tension: 51.587 dyne/cm; (16)Enthalpy of Vaporization: 71.916 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CCCc1ccc2CCCNc2n1
(2)InChI: InChI=1/C12H16N2O2/c15-11(16)5-1-4-10-7-6-9-3-2-8-13-12(9)14-10/h6-7H,1-5,8H2,(H,13,14)(H,15,16)
(3)InChIKey: YGHYFKOIEJCYHJ-UHFFFAOYAQ

Product Name

5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butyric acid

5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butyric acid Specification

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