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441774-09-0

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Basic Information
CAS No.: 441774-09-0
Name: 1,4-Piperidinedicarboxylic acid, 4-(2-propenyl)-, 1-(1,1-dimethylethyl) 4-methyl ester
Article Data: 7
Molecular Structure:
Molecular Structure of 441774-09-0 (1,4-Piperidinedicarboxylic acid, 4-(2-propenyl)-, 1-(1,1-dimethylethyl) 4-methyl ester)
Formula: C15H25NO4
Molecular Weight: 283.368
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;
Density: 1.05 g/cm3
Boiling Point: 342.4 °C at 760 mmHg
Flash Point: 160.9 °C
PSA: 55.84000
LogP: 2.69070
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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