1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid supplier

Name
1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
EINECS
CAS No. 123811-87-0
Article Data3
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₄
Boiling Point 428.759 °C at 760 mmHg
Molecular Weight 277.32
Flash Point 213.106 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2(2H)-Quinolinedicarboxylicacid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester, (?à)-;1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;1,2(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester;
PSA 66.84000
LogP 2.89250

1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid Specification

The 1,2(2H)-Quinolinedicarboxylicacid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester, with the CAS registry number 123811-87-0, has the systematic name of 1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid. And the molecular formula of the chemical is C₁₅H₁₉NO₄.

The characteristics of 1,2(2H)-Quinolinedicarboxylicacid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester are as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.02; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.49; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.84 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 72.91 cm³; (15)Molar Volume: 226.7 cm³; (16)Polarizability: 28.9×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.222 g/cm³; (19)Flash Point: 213.1 °C; (20)Enthalpy of Vaporization: 72.1 kJ/mol; (21)Boiling Point: 428.8 °C at 760 mmHg; (22)Vapour Pressure: 4.09E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)C2CCc1ccccc1N2C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H19NO4/c1-15(2,3)20-14(19)16-11-7-5-4-6-10(11)8-9-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
(3)InChIKey: NGYOAZMYTIAOTI-UHFFFAOYAV

Product Name

1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid

1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid Specification

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