N-Boc-4-phenylnipecotic acid supplier

Name
1-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDINE-3-CARBOXYLIC ACID
EINECS
CAS No. 221141-79-3
Density 1.169g/cm³
Solubility
Melting Point
Formula C₁₇H₂₃NO₄
Boiling Point 454.9 °C at 760 mmHg
Molecular Weight 305.37
Flash Point 228.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDINE-3-CARBOXYLIC ACID;N-BOC-4-PHENYL-NIPECOTIC ACID;Trans-N-BOC-4-Phenylnipecotic acid;
PSA 66.84000
LogP 3.04970

N-Boc-4-phenylnipecotic acid Specification

The N-Boc-4-phenylnipecotic acid, with CAS registry number 221141-79-3, has the systematic name of 1-(tert-butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid. Besides this, it is also called N-Boc-4-phenylnipecotic acid. And the chemical formula of this chemical is C₁₇H₂₃NO₄.

Physical properties of N-Boc-4-phenylnipecotic acid: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/BCF (pH 5.5): 6.37; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 60.16; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.84 Å²; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 81.99 cm³; (14)Molar Volume: 261.1 cm³; (15)Polarizability: 32.5×10^-24cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.169 g/cm³; (18)Flash Point: 228.9 °C; (19)Enthalpy of Vaporization: 75.29 kJ/mol; (20)Boiling Point: 454.9 °C at 760 mmHg; (21)Vapour Pressure: 4.58E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C1CN(CCC1c2ccccc2)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(14(11-18)15(19)20)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)
(3)InChIKey: UHRXHCZPUWORFZ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(14(11-18)15(19)20)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)
(5)Std. InChIKey: UHRXHCZPUWORFZ-UHFFFAOYSA-N

Product Name

1-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDINE-3-CARBOXYLIC ACID

N-Boc-4-phenylnipecotic acid Specification

Related Products

Hot Products