(3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid supplier

Name
(3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid
EINECS
CAS No. 1049976-10-4
Density 1.156 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 387.7 °C at 760 mmHg
Molecular Weight 205.253 [g/mol]
Flash Point 188.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Trans-4-p-tolylpyrrolidine-3-carboxylic acid;(3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid;
PSA 49.33000
LogP 1.71140

(3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid Specification

The (3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid ,its cas register number is 1049976-10-4.It also can be called as 3-Pyrrolidinecarboxylicacid, 4-(4-methylphenyl)-, (3S,4R)- and the IUPAC name about this chemical is (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid .

Following are the chemical properties about (3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid :(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: 1.557 ; (6)Molar Refractivity: 57.17 cm³ ; (7)Molar Volume: 177.4 cm³ ; (8)Polarizability: 22.66x10^-24cm³ ; (9)Surface Tension: 44.7 dyne/cm; (10)Enthalpy of Vaporization: 67.16 kJ/mol ; (11)Vapour Pressure: 1.05E-06 mmHg at 25°C

This chemical can be described computed from structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C2CNCC2C(=O)O
(2)Isomeric SMILES: CC1=CC=C(C=C1)[C@@H]2CNC[C@H]2C(=O)O
(3)InChI: InChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1
(4)InChIKey: HOMQPSPEVRFBRQ-WDEREUQCSA-N

Product Name

(3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid

(3S,4R)-4-p-Tolylpyrrolidine-3-carboxylic acid Specification

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