(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid supplier

Name
(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
EINECS
CAS No. 138423-86-6
Article Data6
CAS DataBase
Density 1.117g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₄
Boiling Point 345.1 °C at 760 mmHg
Molecular Weight 257.33
Flash Point 162.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-;(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid;
PSA 66.84000
LogP 2.04450

(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid Specification

The (S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid with the CAS number 138423-86-6 is also called 1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-. The IUPAC name is (2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid. Its molecular formula is C₁₂H₂₁NO₄.

The properties of the chemical are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 66.84 Å²; (8)Index of Refraction: 1.483; (9)Molar Refractivity: 62.25 cm³; (10)Molar Volume: 217.6 cm³; (11)Polarizability: 24.68×10^-24cm³; (12)Surface Tension: 39.5 dyne/cm; (13)Enthalpy of Vaporization: 64.74 kJ/mol; (14)Vapour Pressure: 1.12×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CC(N(C1)C(=O)OC(C)(C)C)C(=O)O)C
(2)InChI: InChI=1/C12H21NO4/c1-11(2,3)17-10(16)13-7-12(4,5)6-8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m0/s1
(3)InChIKey: ACHKRIQLSCPKKK-QMMMGPOBBK

Product Name

(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid

(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid Specification

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