Pyrrolidine,1-(2-methoxy-4-nitrophenyl)- supplier

Name
1-(2-METHOXY-4-NITROPHENYL)PYRROLIDINE
EINECS 267-278-5
CAS No. 67828-57-3
Article Data1
CAS DataBase
Density 1.235 g/cm³
Solubility
Melting Point 60 °C
Formula C₁₁H₁₄N₂O₃
Boiling Point 391.8 °C at 760 mmHg
Molecular Weight 222.244
Flash Point 190.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methoxy-1-nitro-4-(1-pyrrolidinyl)benzene;1-(2-Methoxy-4-nitrophenyl)pyrrolidine;
PSA 58.29000
LogP 2.79180

Pyrrolidine,1-(2-methoxy-4-nitrophenyl)- Specification

The CAS register number of Pyrrolidine,1-(2-methoxy-4-nitrophenyl)- is 67828-57-3. It also can be called as 3-Methoxy-1-nitro-4-(1-pyrrolidinyl)benzene and the systematic name about this chemical is 1-(2-methoxy-4-nitrophenyl)pyrrolidine. The molecular formula about this chemical is C₁₁H₁₄N₂O₃ and the molecular weight is 222.24. It belongs to the following product categories which include Heterocycles; API intermediates and so on.

Physical properties about Pyrrolidine,1-(2-methoxy-4-nitrophenyl)- are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.18; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 155.06; (5)ACD/BCF (pH 7.4): 155.13; (6)ACD/KOC (pH 5.5): 1286.83; (7)ACD/KOC (pH 7.4): 1287.39; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 58.29 Å²; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 59.68 cm³; (13)Molar Volume: 179.8 cm³; (14)Polarizability: 23.65x10^-24cm³; (15)Surface Tension: 49.2 dyne/cm; (16)Density: 1.235 g/cm³; (17)Flash Point: 190.7 °C; (18)Enthalpy of Vaporization: 64.14 kJ/mol; (19)Boiling Point: 391.8 °C at 760 mmHg; (20)Vapour Pressure: 2.4E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(cc1)N2CCCC2
(2)InChI: InChI=1/C11H14N2O3/c1-16-11-8-9(13(14)15)4-5-10(11)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
(3)InChIKey: ULBJILHSWMGASA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H14N2O3/c1-16-11-8-9(13(14)15)4-5-10(11)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
(5)Std. InChIKey: ULBJILHSWMGASA-UHFFFAOYSA-N

Product Name

1-(2-METHOXY-4-NITROPHENYL)PYRROLIDINE

Pyrrolidine,1-(2-methoxy-4-nitrophenyl)- Specification

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