2-(3,4-Dimethoxyphenyl)pyrrolidine supplier

Name
2-(3,4-DIMETHOXY-PHENYL)-PYRROLIDINE
EINECS
CAS No. 367281-00-3
Article Data3
CAS DataBase
Density 1.052 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₂
Boiling Point 307.7 °C at 760 mmHg
Molecular Weight 207.272
Flash Point 125 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(3,4-Dimethoxyphenyl)pyrrolidine;1,2-dimethoxy-4-pyrrolidin-2-ylbenzene;
PSA 30.49000
LogP 2.45710

2-(3,4-Dimethoxyphenyl)pyrrolidine Specification

The Pyrrolidine, 2-(3,4-dimethoxyphenyl)-, with the CAS registry number 367281-00-3, has the systematic name of 2-(3,4-dimethoxyphenyl)pyrrolidine. It is a kind of irritant chemical, and should be stored in the dry and cool environment. The molecular formula of the chemical is C₁₂H₁₇NO₂.

The characteristics of Pyrrolidine, 2-(3,4-dimethoxyphenyl)- are as followings: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -1.18; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 59.59 cm³; (15)Molar Volume: 196.9 cm³; (16)Polarizability: 23.62×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.052 g/cm³; (19)Flash Point: 125 °C; (20)Enthalpy of Vaporization: 54.83 kJ/mol; (21)Boiling Point: 307.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000715 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1c(OC)cc(cc1)C2NCCC2)C
(2)InChI: InChI=1/C12H17NO2/c1-14-11-6-5-9(8-12(11)15-2)10-4-3-7-13-10/h5-6,8,10,13H,3-4,7H2,1-2H3
(3)InChIKey: QDPNOFVFBQDGHG-UHFFFAOYAI

Product Name

2-(3,4-DIMETHOXY-PHENYL)-PYRROLIDINE

2-(3,4-Dimethoxyphenyl)pyrrolidine Specification

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