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

Name
(3S,4R)-4-(2-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
EINECS
CAS No. 1049978-81-5
Density 1.194 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₃
Boiling Point 394.8 °C at 760 mmHg
Molecular Weight 221.25
Flash Point 192.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid;
PSA 58.56000
LogP 1.41160

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

The (3S,4R)-4-(2-Methoxyphenyl)pyrrolidine-3-carboxylic acid with the cas number 1049978-81-5 is also called 3-Pyrrolidinecarboxylicacid, 4-(2-methoxyphenyl)-, (3S,4R)-. Its molecular formula is C₁₂H₁₅NO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.46; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 59.02 cm³; (15)Molar Volume: 185.1 cm³; (16)Polarizability: 23.39×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Enthalpy of Vaporization: 68.01 kJ/mol; (19)Vapour Pressure: 6.09×10^-7 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(OC)cccc1)CNC2
(2)InChI: InChI=1/C12H15NO3/c1-16-11-5-3-2-4-8(11)9-6-13-7-10(9)12(14)15/h2-5,9-10,13H,6-7H2,1H3,(H,14,15)/t9-,10+/m0/s1
(3)InChIKey: RXEAROWKSOELNY-VHSXEESVBH

Product Name

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

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

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