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trans-4-Phenyl-L-proline structure

trans-4-Phenyl-L-proline

 
1. Names and Identifiers
1.1 Name
trans-4-Phenyl-L-proline
1.2 Synonyms
(2S,4S)-4-phenylpyrrolidine-2-carboxylic acid; (2S,4S)-4-phenylpyrrolidine-2-carboxylicaci; (4S)-4-Phenyl-L-proline; (trans)-4-Phenyl-S-proline; L-Proline, 4-phenyl-, (4S)-; L-Proline, 4-phenyl-, trans-; Proline, 4-phenyl-; trans-4-Phenyl-L-proline; TRANS-4-PHENYL-L-PROLINE(RS20013976); trans-4-Phenyl-L-proline, (2S,4S)-2-Carboxy-4-phenylpyrrolidine;
1.3 CAS No.
96314-26-0
1.4 CID
12805582
1.5 EINECS
416-020-1
1.6 Molecular Formula
C11H13NO2
1.7 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+/m1/s1
1.8 InChkey
JHHOFXBPLJDHOR-ZJUUUORDSA-N
1.9 Canonical Smiles
C1C(CNC1C(=O)O)C2=CC=CC=C2
1.10 Isomers Smiles
C1[C@H](CN[C@@H]1C(=O)O)C2=CC=CC=C2
2. Properties
2.1 pKa
2.25±0.40(Predicted)
3. Safety and Handling
3.1 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

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Synthesis Route
96314-26-0Total: 4 Synthesis Route
 
3973-63-5
3973-63-5 2 Suppliers
 
96314-26-0
96314-26-0 12 Suppliers
   
96314-26-0
96314-26-0 12 Suppliers
6. Precursor and Product
precursor:
7. Computed Properties
8. Toltal 11 Suppliers View more
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9. Realated Product Infomation
 
 
 
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