Home >> Chemicals Listing >> hot product list by 1  

1-[(tert-Butoxy)carbonyl]-3,4-dihydro-1,8-naphthyridine-7(2H)-acetic acid (445492-19-3)

Identification
Name:1-[(tert-Butoxy)carbonyl]-3,4-dihydro-1,8-naphthyridine-7(2H)-acetic acid
Synonyms:7-Carboxymethyl-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester;
CAS:445492-19-3
Molecular Formula: C15H20N2O4
Molecular Weight: 292.33
InChI: InChI=1/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19)
Molecular Structure: (C15H20N2O4) 7-Carboxymethyl-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester;
Properties
Flash Point: 233.7°C
Boiling Point: 462.8°C at 760 mmHg
Density:1.243
Refractive index:1.559
Specification:

The Butoxy)carbonyl]-3,4-dihydro-1,8-naphthyridine-7(2H)-acetic acid with the CAS number 445492-19-3 is also called 7-Carboxymethyl-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester. The systematic name is 2-(8-tert-butoxycarbonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)acetic acid. Its molecular formula is C15H20N2O4. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Butoxy)carbonyl]-3,4-dihydro-1,8-naphthyridine-7(2H)-acetic acid are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 79.73 Å2; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 76.01 cm3; (9)Molar Volume: 235.1 cm3; (10)Polarizability: 30.13×10-24cm3; (11)Surface Tension: 53.8 dyne/cm; (12)Enthalpy of Vaporization: 76.28 kJ/mol; (13)Vapour Pressure: 2.3×10-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc1ccc2CCCN(c2n1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19)
(3)InChIKey: KCZSLOVKEZQJNT-UHFFFAOYAW

Flash Point: 233.7°C
Safety Data
 

Other Product