CAS No.1095010-47-1,1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1095010-47-1
Name:	1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester
Article Data:	4
Cas Database

Formula:	C₁₂H₂₁NO₅
Molecular Weight:	259.302
Synonyms:	1-tert-Butyl 3-methyl 5-hydroxypiperidine-1,3-dicarboxylate;O1-tert-Butyl O3-methyl 5-hydroxypiperidine-1,3-dicarboxylate;Methyl 1-Boc-5-hydroxypiperidine-3-carboxylate;
Density:	1.182 g/cm³
Boiling Point:	352.1 °C at 760 mmHg
Flash Point:	166.8 °C
PSA:	76.07000
LogP:	0.71520

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Specification

The 1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester, with the CAS registry number 1095010-47-1, is also known as Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate. This chemical's molecular formula is C₁₂H₂₁NO₅ and molecular weight is 259.3. What's more, its systematic name is O1-tert-butyl O3-methyl 5-hydroxypiperidine-1,3-dicarboxylate.

Physical properties of 1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.28; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 76.07 Å²; (9)Index of Refraction: 1.495; (10)Molar Refractivity: 63.98 cm³; (11)Molar Volume: 219.2 cm³; (12)Polarizability: 25.36×10^-24cm³; (13)Surface Tension: 44.9 dyne/cm; (14)Density: 1.182 g/cm³; (15)Flash Point: 166.8 °C; (16)Enthalpy of Vaporization: 69.12 kJ/mol; (17)Boiling Point: 352.1 °C at 760 mmHg; (18)Vapour Pressure: 2.3E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC(CC(C1)O)C(=O)OC
(2)InChI: InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(10(15)17-4)5-9(14)7-13/h8-9,14H,5-7H2,1-4H3
(3)InChIKey: DFZMPKMSTNKZKL-UHFFFAOYSA-N