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D-Proline,2-[(2-bromophenyl)methyl]-

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Name

D-Proline,2-[(2-bromophenyl)methyl]-

EINECS N/A
CAS No. 637020-88-3 Density 1.496 g/cm3
PSA 49.33000 LogP 3.32920
Solubility N/A Melting Point N/A
Formula C12H14BrNO2 Boiling Point 411.6 °C at 760 mmHg
Molecular Weight 284.1491 Flash Point 202.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 637020-88-3 ((S)-ALPHA-(2-BROMOBENZYL)-PROLINE-HCL) Hazard Symbols N/A
Synonyms

(S)-2-(2-Bromobenzyl)pyrrolidine-2-carboxylic acid;

 

D-Proline,2-[(2-bromophenyl)methyl]- Specification

The CAS registry number of D-Proline,2-[(2-bromophenyl)methyl]- is 637020-88-3. This chemical is also named as (S)-2-(2-Bromobenzyl)pyrrolidine-2-carboxylic acid. In addition, its molecular formula is C12H14BrNO2 and molecular weight is 284.1491. Its systematic name is called 2-(2-bromobenzyl)-L-proline.

Physical properties about D-Proline,2-[(2-bromophenyl)methyl]- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.06; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.6; (8)ACD/KOC (pH 7.4): 1.6; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 64.66 cm3; (14)Molar Volume: 189.9 cm3; (15)Surface Tension: 52.9 dyne/cm; (16)Density: 1.496 g/cm3; (17)Flash Point: 202.7 °C; (18)Enthalpy of Vaporization: 70.02 kJ/mol; (19)Boiling Point: 411.6 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]1(NCCC1)Cc2ccccc2Br
(2)InChI: InChI=1/C12H14BrNO2/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12/h1-2,4-5,14H,3,6-8H2,(H,15,16)/t12-/m1/s1
(3)InChIKey: SBRRTKZQYIULEQ-GFCCVEGCBU

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