4-(2-Propen-1-yl)-1,4-piperidinedicarboxylic acid 1-tert-butyl 4-methyl ester supplier

Name
1,4-Piperidinedicarboxylic acid, 4-(2-propenyl)-, 1-(1,1-dimethylethyl) 4-methyl ester
EINECS
CAS No. 441774-09-0
Article Data7
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₅NO₄
Boiling Point 342.4 °C at 760 mmHg
Molecular Weight 283.368
Flash Point 160.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Piperidinedicarboxylicacid, 4-(2-propenyl)-, 1-(1,1-dimethylethyl) 4-methyl ester (9CI);1-tert-Butyl 4-methyl 4-allylpiperidine-1,4-dicarboxylate;4-(2-Propenyl)-1,4-piperidinedicarboxylicacid-1-(1,1-dimethylethyl)4-methylester;
PSA 55.84000
LogP 2.69070

4-(2-Propen-1-yl)-1,4-piperidinedicarboxylic acid 1-tert-butyl 4-methyl ester Specification

The 4-(2-Propen-1-yl)-1,4-piperidinedicarboxylic acid 1-tert-butyl 4-methyl ester, with the cas registry number 441774-09-0, has the systematic name of 1,4-piperidinedicarboxylic acid, 4-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) 4-methyl ester. It belongs to the product category of Piperidine. And the molecular formula of the chemical is C₁₅H₂₅NO₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.29; (6)ACD/BCF (pH 7.4): 71.29; (7)ACD/KOC (pH 5.5): 737.91; (8)ACD/KOC (pH 7.4): 737.91; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 75.98 cm³; (15)Molar Volume: 269.9 cm³; (16)Polarizability: 30.12×10^-24cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.049 g/cm³; (19)Flash Point: 160.9 °C; (20)Enthalpy of Vaporization: 58.62 kJ/mol; (21)Boiling Point: 342.4 °C at 760 mmHg; (22)Vapour Pressure: 7.55E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CC=C)C(=O)OC
(2)InChI: InChI=1/C15H25NO4/c1-6-7-15(12(17)19-5)8-10-16(11-9-15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3
(3)InChIKey: HVGRWPOAYYRINC-UHFFFAOYAL

Product Name

1,4-Piperidinedicarboxylic acid, 4-(2-propenyl)-, 1-(1,1-dimethylethyl) 4-methyl ester

4-(2-Propen-1-yl)-1,4-piperidinedicarboxylic acid 1-tert-butyl 4-methyl ester Specification

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