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1- (3,4-dichlorophenyl) ethanamine

CAT: 0024-sc-272969Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-272969Size:250 mg
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CAS Number
74877-07-9

Chemical Information

1-(3,4-Dichlorophenyl)ethanamine
CAS Number74877-07-9
PubChem CID3159242
IUPAC Name1-(3,4-dichlorophenyl)ethanamine
Molecular FormulaC8H9Cl2N
Molecular Weight190.07
XLogP3.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity129
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3
InChIKey
UJUFOUVXOUYYRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-Dichlorophenyl)ethanamine
CAS: 74877-07-9
CID: 3159242
Formula: C8H9Cl2N
MW: 190.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.07
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass189.0112047
Monoisotopic Mass189.0112047
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity129
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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