1-Piperidinecarboxylicacid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (3S)- supplier

Name
1-Boc-3-carbamoyl piperidine
EINECS
CAS No. 88466-77-7
Article Data4
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀N₂O₃
Boiling Point 384.4 °C at 760 mmHg
Molecular Weight 228.291
Flash Point 186.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperidinecarboxylicacid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (S)- (9CI);(S)-1-(tert-Butoxycarbonyl)nipecotamide;
PSA 72.63000
LogP 1.75700

1-Piperidinecarboxylicacid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (3S)- Specification

This chemical is called 1-Piperidinecarboxylic acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, and its systematic name is tert-Butyl 3-carbamoylpiperidine-1-carboxylate. With the molecular formula of C₁₁H₂₀N₂O₃, its CAS registry number is 88466-77-7.

Other characteristics of the 1-Piperidinecarboxylic acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.46; (8)ACD/KOC (pH 7.4): 28.46; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.63 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 59.54 cm³; (15)Molar Volume: 203.1 cm³; (16)Polarizability: 23.6×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.123 g/cm³; (19)Flash Point: 186.3 °C; (20)Enthalpy of Vaporization: 63.31 kJ/mol; (21)Boiling Point: 384.4 °C at 760 mmHg; (22)Vapour Pressure: 4.1E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: NC(=O)C1CN(CCC1)C(=O)OC(C)(C)C
2.InChI: InChI=1/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
3.InChIKey: APFUDGDIIFSTSD-UHFFFAOYAI

Product Name

1-Boc-3-carbamoyl piperidine

1-Piperidinecarboxylicacid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (3S)- Specification

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