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1- (3-Bromophenyl) ethanamine

CAT: 0127-OR928575-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR928575-01Size:250 mg
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CAS Number
74877-08-0
MDL Number
MFCD07780647
Purity
95%
Smiles
CC(N)c1cccc(Br)c1

Chemical Information

1-(3-Bromophenyl)ethanamine
CAS Number74877-08-0
PubChem CID16785764
IUPAC Name1-(3-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=C1)Br)N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKey
LIBZHYLTOAGURM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Bromophenyl)ethanamine
CAS: 74877-08-0
CID: 16785764
Formula: C8H10BrN
MW: 200.08
Interactive 3D Structure
Loading 3D structure...
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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