(2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid supplier

Name
(2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid
EINECS
CAS No. 334769-80-1
Article Data20
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₉NO₄
Boiling Point 343.2 °C at 760 mmHg
Molecular Weight 229.276
Flash Point 161.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5S)-1-(tert-Butoxycarbonyl)-5-methyl-L-proline;
PSA 66.84000
LogP 1.79690

(2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid Specification

The (2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid ,its cas register number is 334769-80-1.It also can be called as (2S,5S)- 5-Methyl-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester and the Systematic name about this chemical is 1,2-pyrrolidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester, (2S,5S)- .

Following are the chemical properties about (2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid :(1)#H bond acceptors: 5 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 66.84Å² ; (5)Index of Refraction: 1.49 ; (6)Molar Refractivity: 57.64 cm³ ; (7)Molar Volume: 199.2 cm³ ; (8)Polarizability: 22.85x10^-24cm³ ; (9)Surface Tension: 42 dyne/cm ; (10)Enthalpy of Vaporization: 64.51 kJ/mol ; (11)Vapour Pressure: 1.29E-05 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES:C[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C11H19NO4/c1-7-5-6-8(9(13)14)12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
(3)InChIKey: BSAYEGDCKUEPNE-YUMQZZPRBS
(4)Std. InChI: InChI=1S/C11H19NO4/c1-7-5-6-8(9(13)14)12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
(5)Std. InChIKey: BSAYEGDCKUEPNE-YUMQZZPRSA-N

Product Name

(2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid

(2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid Specification

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