CAS No.134526-69-5,(R)-2-FORMYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	134526-69-5
Name:	(R)-2-FORMYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Article Data:	14

Formula:	C₁₁H₁₉NO₃
Molecular Weight:	213.27
Synonyms:	1-Piperidinecarboxylicacid, 2-formyl-, 1,1-dimethylethyl ester, (R)-;tert-Butyl (R)-2-formylpiperidine-1-carboxylate;
Density:	1.115 g/cm³
Boiling Point:	295.431 °C at 760 mmHg
Flash Point:	132.472 °C
PSA:	46.61000
LogP:	1.91280

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Specification

This chemical is called (R)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester, and its systematic name is tert-butyl 2-formylpiperidine-1-carboxylate. With the molecular formula of C₁₁H₁₉NO₃, its molecular weight is 213.27. The CAS registry number of this chemical is 134526-69-5.

Other characteristics of the (R)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester can be summarised as followings: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 115; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 58.049 cm³; (15)Molar Volume: 191.274 cm³; (16)Polarizability: 23.012×10^-24cm³; (17)Surface Tension: 45.225 dyne/cm; (18)Density: 1.115 g/cm³; (19)Flash Point: 132.472 °C; (20)Enthalpy of Vaporization: 53.514 kJ/mol; (21)Boiling Point: 295.431 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N1C(C=O)CCCC1
2.InChI: InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h8-9H,4-7H2,1-3H3
3.InChIKey: KZNDGAGWQPGYTB-UHFFFAOYAD
4.Std. InChI: InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h8-9H,4-7H2,1-3H3
5.Std. InChIKey: KZNDGAGWQPGYTB-UHFFFAOYSA-N