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2- (4-Bromophenoxy) - N, N- diethylethanamine

CAT: 0926-FB170768-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FB170768-01Size:100 mg
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CAS Number
1823-62-7
Smiles
CCN (CC) CCOC1=CC=C (C=C1) Br
Molecular Formula
C12H18BrNO
Molecular Weight
272.18 g/mol
Controlled
No

Chemical Information

2-(4-bromophenoxy)-N,N-diethylethanamine
CAS Number1823-62-7
PubChem CID423953
IUPAC Name2-(4-bromophenoxy)-N,N-diethylethanamine
Molecular FormulaC12H18BrNO
Molecular Weight272.18
XLogP3.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity154
SMILES
CCN(CC)CCOC1=CC=C(C=C1)Br
InChI
InChI=1S/C12H18BrNO/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKey
XKIFTEHOCFPRJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-bromophenoxy)-N,N-diethylethanamine
CAS: 1823-62-7
CID: 423953
Formula: C12H18BrNO
MW: 272.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.18
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass271.05718
Monoisotopic Mass271.05718
Topological Polar Surface Area12.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes