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