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1- (2-Bromophenyl) ethylamine

CAT: 0024-sc-258400ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-258400ASize:1 g
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CAS Number
113899-55-1

Chemical Information

1-(2-Bromophenyl)ethan-1-amine
CAS Number113899-55-1
PubChem CID3825290
IUPAC Name1-(2-bromophenyl)ethanamine
Molecular FormulaC8H10BrN
Molecular Weight200.08
XLogP1.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
CC(C1=CC=CC=C1Br)N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
InChIKey
DSAXBVQQKYZELF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Bromophenyl)ethan-1-amine
CAS: 113899-55-1
CID: 3825290
Formula: C8H10BrN
MW: 200.08
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.08
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass198.99966
Monoisotopic Mass198.99966
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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FB1694842- (4-Bromophenyl) -1- (hydroxyimino) ethylamine
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