(3S,4R)-4-(Naphthalen-2-yl)pyrrolidine-3-carboxylic acid supplier

Name
(3S,4R)-4-(NAPHTHALEN-2-YL)PYRROLIDINE-3-CARBOXYLIC ACID
EINECS
CAS No. 1049978-40-6
Density 1.235 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅NO₂
Boiling Point 469.9 °C at 760 mmHg
Molecular Weight 241.29
Flash Point 238 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-pyrrolidinecarboxylic acid, 4-(2-naphthalenyl)-, (3S,4R)-;(3S,4R)-4-(naphthalen-2-yl)pyrrolidine-3-carboxylic acid;
PSA 49.33000
LogP 2.55620

(3S,4R)-4-(Naphthalen-2-yl)pyrrolidine-3-carboxylic acid Specification

The (3S,4R)-4-(Naphthalen-2-yl)pyrrolidine-3-carboxylic acid, with the CAS registry number 1049978-40-6, is also called 3-pyrrolidinecarboxylic acid, 4-(2-naphthalenyl)-, (3S,4R)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₅H₁₅NO₂.

The characteristics of (3S,4R)-4-(Naphthalen-2-yl)pyrrolidine-3-carboxylic acid are as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.42; (8)ACD/KOC (pH 7.4): 1.43; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 70.18 cm³; (15)Molar Volume: 195.2 cm³; (16)Polarizability: 27.82×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.235 g/cm³; (19)Flash Point: 238 °C; (20)Enthalpy of Vaporization: 77.16 kJ/mol; (21)Boiling Point: 469.9 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@H]3[C@H](c1ccc2c(c1)cccc2)CNC3
(2)InChI: InChI=1/C15H15NO2/c17-15(18)14-9-16-8-13(14)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,16H,8-9H2,(H,17,18)/t13-,14+/m0/s1
(3)InChIKey: FXFJYUXPFQIPNN-UONOGXRCBD

Product Name

(3S,4R)-4-(NAPHTHALEN-2-YL)PYRROLIDINE-3-CARBOXYLIC ACID

(3S,4R)-4-(Naphthalen-2-yl)pyrrolidine-3-carboxylic acid Specification

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