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29375-30-2

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Basic Information
CAS No.: 29375-30-2
Name: L-Alanyl-L-proline tert-Butyl Ester
Article Data: 6
Molecular Structure:
Molecular Structure of 29375-30-2 (L-Alanyl-L-proline tert-Butyl Ester)
Formula: C12H22N2O3
Molecular Weight: 242.318
Synonyms: LogP
Density: 1.107 g/cm3
Boiling Point: 358.2 °C at 760 mmHg
Flash Point: 170.4 °C
PSA: 72.63000
LogP: 1.30450
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Specification

The CAS registry number of L-Proline,L-alanyl-,1,1-dimethylethyl ester is 29375-30-2. The IUPAC name is tert-butyl L-alanyl-L-prolinate. In addition, the molecular formula is C12H22N2O3 and the molecular weight is 242.3147. It is a kind of light green solid and belongs to the classes of Amino Acids 13C, 2H, 15N and Amino Acids & Derivatives.

Physical properties about L-Proline,L-alanyl-,1,1-dimethylethyl ester are: (1)ACD/LogP: 0.70; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.2; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 72.63 Å2; (10)Index of Refraction: 1.498; (11)Molar Refractivity: 64.16 cm3; (12)Molar Volume: 218.7 cm3; (13)Polarizability: 25.43 ×10-24cm3; (14)Surface Tension: 42.9 dyne/cm; (15)Density: 1.107 g/cm3; (16)Flash Point: 170.4 °C; (17)Enthalpy of Vaporization: 60.36 kJ/mol; (18)Boiling Point: 358.2 °C at 760 mmHgVapour Pressure: 2.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCC[C@H]1C(=O)OC(C)(C)C)[C@H](C)N
(2)InChI: InChI=1/C12H22N2O3/c1-8(13)10(15)14-7-5-6-9(14)11(16)17-12(2,3)4/h8-9H,5-7,13H2,1-4H3/t8-,9-/m0/s1
(3)InChIKey: GEMSXPOJLIUVKT-IUCAKERBBS