(3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid supplier

Name
(3S,4R)-4-(2,5-DICHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
EINECS
CAS No. 1049978-45-1
Density 1.405 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁Cl₂NO₂
Boiling Point 404.5 °C at 760 mmHg
Molecular Weight 260.12
Flash Point 198.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid;
PSA 49.33000
LogP 2.70980

(3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid Specification

The CAS register number of (3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid is 1049978-45-1. It also can be called as 3-pyrrolidinecarboxylic acid, 4-(2,5-dichlorophenyl)-, (3S,4R)- and the systematic name about this chemical is (3S,4R)-4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylic acid. The molecular formula about this chemical is C₁₁H₁₁Cl₂NO₂and molecular weight is 260.12.

Physical properties about (3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): -0.26; (3)ACD/LogD (pH 7.4): -0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.24; (7)ACD/KOC (pH 7.4): 1.24; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 62.13 cm³; (14)Molar Volume: 185 cm³; (15)Polarizability: 24.63x10^-24cm³; (16)Surface Tension: 51.2 dyne/cm; (17)Enthalpy of Vaporization: 69.17 kJ/mol; (18)Boiling Point: 404.5 °C at 760 mmHg; (19)Vapour Pressure: 2.87E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2[C@H](c1c(Cl)ccc(Cl)c1)CNC2
(2)InChI: InChI=1/C11H11Cl2NO2/c12-6-1-2-10(13)7(3-6)8-4-14-5-9(8)11(15)16/h1-3,8-9,14H,4-5H2,(H,15,16)/t8-,9+/m0/s1
(3)InChIKey: VKDXYQPZUWSCKU-DTWKUNHWBP
(4)Std. InChI: InChI=1S/C11H11Cl2NO2/c12-6-1-2-10(13)7(3-6)8-4-14-5-9(8)11(15)16/h1-3,8-9,14H,4-5H2,(H,15,16)/t8-,9+/m0/s1
(5)Std. InChIKey: VKDXYQPZUWSCKU-DTWKUNHWSA-N

Product Name

(3S,4R)-4-(2,5-DICHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

(3S,4R)-4-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid Specification

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