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221915-84-0

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Basic Information
CAS No.: 221915-84-0
Name: 3-(2-Dimethylaminoethoxy)-bromobenzene
Molecular Structure:
Molecular Structure of 221915-84-0 (3-(2-Dimethylaminoethoxy)-bromobenzene)
Formula: C10H14BrNO
Molecular Weight: 244.131
Synonyms: 3-(2-DIMETHYLAMINOETHOXY)-BROMOBENZENE;[2-(3-BROMO-PHENOXY)-ETHYL]-DIMETHYL-AMINE;UKRORGSYN-BB BBV-070799;2-(3-BroMophenoxy)-N,N-diMethylethanaMine
Density: 1.309 g/cm3
Boiling Point: 280 °C at 760 mmHg
Flash Point: 123.1 °C
PSA: 12.47000
LogP: 2.38950
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Specification

The 3-(2-Dimethylaminoethoxy)-bromobenzene with CAS registry number of 221915-84-0 is also named [2-(3-Bromo-phenoxy)-ethyl]-dimethyl-amine. In addition, the systematic name is 2-(3-Bromophenoxy)-N,N-dimethylethanamine. What's more, the formula is C10H14BrNO and the molecular weight is 244.13.

Physical properties about 3-(2-Dimethylaminoethoxy)-bromobenzene are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 58.24 cm3; (9)Molar Volume: 186.3 cm3; (10)Polarizability: 23.08×10-24cm3; (11)Surface Tension: 36.9 dyne/cm; (12)Density: 1.309 g/cm3; (13)Flash Point: 123.1 °C; (14)Enthalpy of Vaporization: 51.87 kJ/mol; (15)Boiling Point: 280 °C at 760 mmHg; (16)Vapour Pressure: 0.00389 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1. SMILES: Brc1cc(OCCN(C)C)ccc1
}2. InChI: InChI=1/C10H14BrNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
3. InChIKey: ITRIRBFNZOUJEP-UHFFFAOYAA
4. Std. InChI: InChI=1S/C10H14BrNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
5. Std. InChIKey: ITRIRBFNZOUJEP-UHFFFAOYSA-N