(S)-1-Benzylpyrrolidine-3-carboxylic acid supplier

Name
(S)-1-N-BENZYL-BETA-PROLINE
EINECS
CAS No. 161659-80-9
Article Data2
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 343.1 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 161.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (S)-;(S)-1-N-Benzyl-beta-proline;(3S)-1-Benzylpyrrolidine-3-carboxylic acid;Acide (3S)-1-benzylpyrrolidine-3-carboxylique;
PSA 40.54000
LogP 1.53100

(S)-1-Benzylpyrrolidine-3-carboxylic acid Specification

The 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (3S)- with CAS registry number of 161659-80-9 is also known as Acide (3S)-1-benzylpyrrolidine-3-carboxylique. The systematic name is (3S)-1-Benzylpyrrolidine-3-carboxylic acid. In addition, the formula is C₁₂H₁₅NO₂ and the molecular weight is 205.25.

Physical properties about 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (3S)- are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): -1.1; (3)ACD/LogD (pH 7.4): -1.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 57.28 cm³; (13)Molar Volume: 170.3 cm³; (14)Surface Tension: 53.6 dyne/cm; (15)Density: 1.205 g/cm³; (16)Flash Point: 161.3 °C; (17)Enthalpy of Vaporization: 61.94 kJ/mol; (18)Boiling Point: 343.1 °C at 760 mmHg; (19)Vapour Pressure: 2.76E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)[C@@H]2CN(Cc1ccccc1)CC2
2. InChI: InChI=1/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
3. InChIKey: RLRDUQNUBMAYDS-NSHDSACABG
4. Std. InChI: InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
5. Std. InChIKey: RLRDUQNUBMAYDS-NSHDSACASA-N

Product Name

(S)-1-N-BENZYL-BETA-PROLINE

(S)-1-Benzylpyrrolidine-3-carboxylic acid Specification

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