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637020-64-5

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Basic Information
CAS No.: 637020-64-5
Name: (S)-ALPHA-(4-METHYLBENZYL)-PROLINE-HCL
Molecular Structure:
Molecular Structure of 637020-64-5 ((S)-ALPHA-(4-METHYLBENZYL)-PROLINE-HCL)
Formula: C13H17NO2
Molecular Weight: 219.2796
Synonyms: 2R)-2-[(4-Methylphenyl)methyl]pyrrolidine-2-carboxylic acid;
Density: 1.154 g/cm3
Boiling Point: 376.1 °C at 760 mmHg
Flash Point: 181.3 °C
PSA: 49.33000
LogP: 2.87510
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  • D-Proline,2-[(4-methylphenyl)methyl]-

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  • (S)-A-(4-METHYL-BENZYL)-PROLINE HCLCAS

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    (S)-A-(4-METHYL-BENZYL)-PROLINE HCLCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • D-Proline,2-[(4-methylphenyl)methyl]-

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    D-Proline,2-[(4-methylphenyl)methyl]-

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Specification

The CAS registry number of D-Proline,2-[(4-methylphenyl)methyl]- is 637020-64-5. This chemical is also named as (2R)-2-[(4-Methylphenyl)methyl]pyrrolidine-2-carboxylic acid. In addition, its molecular formula is C13H17NO2 and molecular weight is 219.2796. Its systematic name is called 2-(4-methylbenzyl)-L-proline.

Physical properties about D-Proline,2-[(4-methylphenyl)methyl]- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.08; (8)ACD/KOC (pH 7.4): 1.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 61.79 cm3; (14)Molar Volume: 190 cm3; (15)Surface Tension: 47.7 dyne/cm; (16)Density: 1.154 g/cm3; (17)Flash Point: 181.3 °C; (18)Enthalpy of Vaporization: 65.8 kJ/mol; (19)Boiling Point: 376.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]1(NCCC1)Cc2ccc(cc2)C
(2)InChI: InChI=1/C13H17NO2/c1-10-3-5-11(6-4-10)9-13(12(15)16)7-2-8-14-13/h3-6,14H,2,7-9H2,1H3,(H,15,16)/t13-/m1/s1
(3)InChIKey: SBPRAVICAMGXQI-CYBMUJFWBG