Home >> Chemicals Listing >> hot product list by 1  

1,2-Pyrrolidinedicarboxylicacid, 5-methyl-, 1-(1,1-dimethylethyl) ester, (2S,5S)- (334769-80-1)

Identification
Name:1,2-Pyrrolidinedicarboxylicacid, 5-methyl-, 1-(1,1-dimethylethyl) ester, (2S,5S)-
Synonyms:(5S)-1-(tert-Butoxycarbonyl)-5-methyl-L-proline;
CAS:334769-80-1
Molecular Formula: C11H19NO4
Molecular Weight: 229.27
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
Molecular Structure: (C11H19NO4) (5S)-1-(tert-Butoxycarbonyl)-5-methyl-L-proline;
Properties
Density:1.150
Refractive index:1.49
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

Safety Data
 

Other Product