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4-Bromo-2,6-diethylaniline

CAT: 0572-TRC-B687758-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687758-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56746-19-1
Synonyms
4-Bromo-2,6-diethylbenzenamine; 2,6-Diethyl-4-bromoaniline;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCc1cc(Br)cc(CC)c1N
Molecular Formula
C10H14BrN
Molecular Weight
228.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Bromo-2,6-diethylaniline
CAS Number56746-19-1
PubChem CID611452
IUPAC Name4-bromo-2,6-diethylaniline
Molecular FormulaC10H14BrN
Molecular Weight228.13
XLogP3.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity124
SMILES
CCC1=CC(=CC(=C1N)CC)Br
InChI
InChI=1S/C10H14BrN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3
InChIKey
BEJYDMQQZUACPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2,6-diethylaniline
CAS: 56746-19-1
CID: 611452
Formula: C10H14BrN
MW: 228.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight228.13
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass227.03096
Monoisotopic Mass227.03096
Topological Polar Surface Area26 Ų
Heavy Atom Count12
Formal Charge0
Complexity124
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