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4-Piperidinebutanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]- (142247-38-9)

Identification
Name:4-Piperidinebutanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]-
Synonyms:4-(1-Boc-piperidin-4-yl)butanoicacid;4-(1-tert-Butoxylcarbonyl-4-piperidyl)butyric acid;4-[1-(N-tert-Butoxycarbonyl)piperidin-4-yl]butanoicacid;
CAS:142247-38-9
Molecular Formula: C14H25NO4
Molecular Weight: 271.35
InChI: InChI=1/C14H25NO4/c1-14(2,3)19-13(18)15-9-7-11(8-10-15)5-4-6-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
Molecular Structure: (C14H25NO4) 4-(1-Boc-piperidin-4-yl)butanoicacid;4-(1-tert-Butoxylcarbonyl-4-piperidyl)butyric acid;4-[1-(N-tert...
Properties
Density:1.086 g/cm3
Refractive index:1.485
Specification:

The CAS register number of N-Boc-(4-piperidin-4-yl)butyric acid is 142247-38-9. It also can be called as 4-Piperidinebutanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-e and the systematic name about this chemical is 4-[1-(tert-butoxycarbonyl)piperidin-4-yl]butanoic acid. Its molecular formula is C14H25NO4 and molecular weight is 271.35.

Physical properties about N-Boc-(4-piperidin-4-yl)butyric acid are: (1)ACD/LogP: 2.30; (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): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.84Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 71.597 cm3; (15)Molar Volume: 249.909 cm3; (16)Surface Tension: 40.266 dyne/cm; (17)Density: 1.086 g/cm3; (18)Flash Point: 195.512 °C; (19)Enthalpy of Vaporization: 71.38 kJ/mol; (20)Boiling Point: 399.668 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OC(C)(C)C)N1CCC(CC1)CCCC(=O)O
2.InChI: InChI=1/C14H25NO4/c1-14(2,3)19-13(18)15-9-7-11(8-10-15)5-4-6-12(16)17/h11H,4-10H2,1-3H3,(H,16,17) 
3.InChIKey: OAFRZYWOCMCWMM-UHFFFAOYAG
4.Std. InChI: InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-7-11(8-10-15)5-4-6-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)

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