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4-Bromophenylethylamine HCl

CAT: 0926-FB34290-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FB34290-01Size:10 g
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CAS Number
39260-89-4
MDL Number
MFCD09037950
Smiles
C1=CC (=CC=C1CCN) Br.Cl
Molecular Formula
C8H10Br·HCl
Molecular Weight
222.53 g/mol
Controlled
Yes

Chemical Information

Benzeneethanamine, 4-bromo-, hydrochloride (1:1)
CAS Number39260-89-4
PubChem CID19703973
IUPAC Name2-(4-bromophenyl)ethanamine;hydrochloride
Molecular FormulaC8H11BrClN
Molecular Weight236.53
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity87
SMILES
C1=CC(=CC=C1CCN)Br.Cl
InChI
InChI=1S/C8H10BrN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKey
ZHAWIPAHUYMLDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzeneethanamine, 4-bromo-, hydrochloride (1:1)
CAS: 39260-89-4
CID: 19703973
Formula: C8H11BrClN
MW: 236.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.53
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass234.97634
Monoisotopic Mass234.97634
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity87.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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