Proline,1-benzoyl- supplier | CasNO.195719-48-3

Name
1-BENZOYL-PYRROLIDINE-2-CARBOXYLIC ACID
EINECS
CAS No. 195719-48-3
Article Data7
CAS DataBase
Density 1.296 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NO₃
Boiling Point 428.9 °C at 760 mmHg
Molecular Weight 219.24
Flash Point 213.2 °C
Transport Information
Appearance
Safety 36/37
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(Phenylcarbonyl)proline;
PSA 57.61000
LogP 1.31370

Proline,1-benzoyl- Specification

The Proline,1-benzoyl-, with the CAS registry number of 195719-48-3, is also known as 1-(Phenylcarbonyl)proline. This chemical's molecular formula is C₁₂H₁₃NO₃ and molecular weight is 219.24. What's more, its systematic name is 1-Benzoylproline.

Physical properties about the Proline,1-benzoyl- are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.88; (4)ACD/LogD (pH 7.4): -3.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 57.76 cm³; (15)Molar Volume: 169 cm³; (16)Surface Tension: 57.8 dyne/cm; (17)Density: 1.296 g/cm³; (18)Flash Point: 213.2 °C; (19)Enthalpy of Vaporization: 72.11 kJ/mol; (20)Boiling Point: 428.9 °C at 760 mmHg; (21)Vapour Pressure: 4.05E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C2N(C(=O)c1ccccc1)CCC2
(2) InChI: InChI=1/C12H13NO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h1-3,5-6,10H,4,7-8H2,(H,15,16)
(3) InChIKey: RQYKQWFHJOBBAO-UHFFFAOYAB

Product Name

1-BENZOYL-PYRROLIDINE-2-CARBOXYLIC ACID

Proline,1-benzoyl- Specification

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