(R)-1-Benzyl-3-N-Boc-aminopiperidine supplier

Name
(R)-1-Benzyl-3-N-Boc-aminopiperidine
EINECS
CAS No. 216854-24-9
Article Data16
CAS DataBase
Density 1.076g/cm³
Solubility
Melting Point
Formula C₁₇H₂₆N₂O₂
Boiling Point 400.862°C at 760 mmHg
Molecular Weight 290.406
Flash Point 196.235°C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-1-BENZYL-3-N-BOC-AMINOPIPERIDINE;(R)-(1-BENZYL-PIPERIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER;(S)-3-(BOC-AMINO)-1-BENZYL-PIPERIDINE;(R)-N-Benzyl-3-N-boc-aminopiperidine;(S)-tert-butyl 1-benzylpiperidin-3-ylcarbamate;tert-butyl N-[(3S)-1-benzylpiperidin-3-yl]carbaMate;(S)-1-Benzyl-3-N-Boc-aMinopiperidine/(S)-tert-butyl 1-benzylpiperidin-3-ylcarbaMate;Linagliptin iMpurity M
PSA 41.57000
LogP 3.50450

(R)-1-Benzyl-3-N-Boc-aminopiperidine Specification

The (R)-1-Benzyl-3-N-Boc-aminopiperidine, with CAS registry number 216854-24-9, has the systematic name of (R)-1-Benzyl-3-N-Boc-aminopiperidine. Besides this, it is also called Carbamic acid, N-[(3S)-1-(phenylmethyl)-3-piperidinyl]-, 1,1-dimethylethyl ester. And the chemical formula of this chemical is C₁₇H₂₆N₂O_2.

Physical properties of (R)-1-Benzyl-3-N-Boc-aminopiperidine: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 207; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 85.02 cm³; (15)Molar Volume: 269.985 cm³; (16)Polarizability: 33.705×10^-24cm³; (17)Surface Tension: 42.471 dyne/cm; (18)Enthalpy of Vaporization: 65.179 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H]2CCCN(Cc1ccccc1)C2
(2)InChI: InChI=1/C17H26N2O2/c1-17(2,3)21-16(20)18-15-10-7-11-19(13-15)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,20)/t15-/m0/s1
(3)InChIKey: IJLXSEZUQISPRL-HNNXBMFYBL
(4)Std. InChI: InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-15-10-7-11-19(13-15)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,20)/t15-/m0/s1
(5)Std. InChIKey: IJLXSEZUQISPRL-HNNXBMFYSA-N

Product Name

(R)-1-Benzyl-3-N-Boc-aminopiperidine

(R)-1-Benzyl-3-N-Boc-aminopiperidine Specification

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