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

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

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

Product Name

(S)-ALPHA-(2-BROMOBENZYL)-PROLINE-HCL

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

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