1-Piperidinecarboxylicacid, 3-[[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (3S)- supplier

Name
(S)-1-Boc-3-(Cbz-amino)-piperidine
EINECS
CAS No. 1002360-09-9
Article Data7
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₆N₂O₄
Boiling Point 471.6 °C at 760 mmHg
Molecular Weight 334.415
Flash Point 239 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-1-Boc-3-(Cbz-amino)-piperidine;
PSA 67.87000
LogP 3.64110

1-Piperidinecarboxylicacid, 3-[[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (3S)- Specification

The 1-Piperidinecarboxylicacid, 3-[[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (3S)-, with the CAS registry number 1002360-09-9, is also known as (S)-1-Boc-3-(Cbz-amino)-piperidine. This chemical's molecular formula is C₁₈H₂₆N₂O₄ and molecular weight is 334.41004. What's more, its systematic name is tert-Butyl 3-{[(benzyloxy)carbonyl]amino}piperidine-1-carboxylate.

Physical properties about 1-Piperidinecarboxylicacid, 3-[[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (3S)- are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 134.88; (6)ACD/BCF (pH 7.4): 134.88; (7)ACD/KOC (pH 5.5): 1164.74; (8)ACD/KOC (pH 7.4): 1164.71; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 67.87 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 91.5 cm³; (15)Molar Volume: 289.2 cm³; (16)Polarizability: 36.27×10^-24 cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 239 °C; (20)Enthalpy of Vaporization: 73.44 kJ/mol; (21)Boiling Point: 471.6 °C at 760 mmHg; (22)Vapour Pressure: 4.6E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCCC(C1)NC(=O)OCc2ccccc2
(2) InChI: InChI=1/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(12-20)19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)
(3) InChIKey: DPJNXCVNNCIYKQ-UHFFFAOYAP

Product Name

(S)-1-Boc-3-(Cbz-amino)-piperidine

1-Piperidinecarboxylicacid, 3-[[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethyl ester, (3S)- Specification

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