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96314-26-0

Basic Information
CAS No.: 96314-26-0
Name: trans-4-Phenyl-L-proline
Article Data: 3
Molecular Structure:
Molecular Structure of 96314-26-0 (trans-4-Phenyl-L-proline)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: L-Proline,4-phenyl-, trans-;Proline, 4-phenyl- (6CI);trans-4-Phenyl-L-proline;
EINECS: 416-020-1
Density: 1.186 g/cm3
Melting Point: >300 °C (decomp)
Boiling Point: 372.8 °C at 760 mmHg
Flash Point: 179.3 °C
Hazard Symbols: HarmfulXn
Risk Codes: 43-62
Safety: 22-36/37
PSA: 49.33000
LogP: 1.54550
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Specification

The trans-4-Phenyl-L-proline ,its cas register number is 96314-26-0.It also can be called as (4S)-4-Phenyl-L-proline and the Systematic name about this chemical is 4-Phenyl-L-proline .

The trans-4-Phenyl-L-proline is a dangerous chemical, because it may cause sensitization by skin contact and it has risk of impaired fertility. In the using process, you need to wear suitable protective clothing and gloves and do not breathe dust.

Following are the chemical properties about trans-4-Phenyl-L-proline :(1)#H bond acceptors: 3 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 29.54Å2 ; (5)Index of Refraction: 1.562 ; (6)Molar Refractivity: 52.34 cm3 ; (7)Molar Volume: 161.1 cm3 ; (8)Polarizability: 20.75x10-24cm3 ; (9)Surface Tension: 46.4 dyne/cm; (10)Enthalpy of Vaporization: 65.4 kJ/mol ; (11)Vapour Pressure: 3.22E-06 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: O=C(O)[C@H]2NCC(c1ccccc1)C2
(2)InChI: InChI=1/C11H13NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9?,10-/m0/s1
(3)InChIKey: JHHOFXBPLJDHOR-AXDSSHIGBF
(4)Std. InChI: InChI=1S/C11H13NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9?,10-/m0/s1
(5)Std. InChIKey: JHHOFXBPLJDHOR-AXDSSHIGSA-N