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921938-75-2

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Basic Information
CAS No.: 921938-75-2
Name: methyl 3-[3-(dimethylamino)propoxy]benzoate
Molecular Structure:
Molecular Structure of 921938-75-2 (methyl 3-[3-(dimethylamino)propoxy]benzoate)
Formula: C13H19NO3
Molecular Weight: 237.29486
Synonyms: methyl 3-[3-(dimethylamino)propoxy]benzoate;Methyl 3-[3-(dimethylamino)propoxy]benzoate 97%
Density: 1.056g/cm3
Boiling Point: 336 °C at 760 mmHg
Flash Point: 157 °C
Hazard Symbols: CorrosiveC
PSA: 38.77000
LogP: 1.80370
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Specification

The Benzoicacid, 3-[3-(dimethylamino)propoxy]-,methyl ester, with CAS registry number 921938-75-2, has the systematic name of methyl 3-[3-(dimethylamino)propoxy]benzoate. This chemical is corrosive. And the chemical formula of this chemical is C13H19NO3.

Physical properties of Benzoicacid, 3-[3-(dimethylamino)propoxy]-,methyl ester: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.11; (4)#H bond acceptors: 4; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 7; (7)Polar Surface Area: 38.77 Å2; (8)Index of Refraction: 1.508; (9)Molar Refractivity: 66.95 cm3; (10)Molar Volume: 224.6 cm3; (11)Polarizability: 26.54×10-24cm3; (12)Surface Tension: 36.9 dyne/cm; (13)Density: 1.056 g/cm3; (14)Flash Point: 157 °C; (15)Enthalpy of Vaporization: 57.91 kJ/mol; (16)Boiling Point: 336 °C at 760 mmHg; (17)Vapour Pressure: 0.000115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)CCCOc1cccc(c1)C(=O)OC
(2)InChI: InChI=1/C13H19NO3/c1-14(2)8-5-9-17-12-7-4-6-11(10-12)13(15)16-3/h4,6-7,10H,5,8-9H2,1-3H3
(3)InChIKey: WGAZXKVAWOAUOI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H19NO3/c1-14(2)8-5-9-17-12-7-4-6-11(10-12)13(15)16-3/h4,6-7,10H,5,8-9H2,1-3H3
(5)Std. InChIKey: WGAZXKVAWOAUOI-UHFFFAOYSA-N