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2- (3,5-Dichlorophenyl) Propan-2-Amine

CAT: 0127-OR1009716-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1009716-01Size:1 g
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CAS Number
129960-45-8
MDL Number
MFCD18089484
Purity
98%
Smiles
CC(C)(N)c1cc(Cl)cc(Cl)c1

Chemical Information

2-(3,5-Dichlorophenyl)propan-2-amine
CAS Number129960-45-8
PubChem CID11195052
IUPAC Name2-(3,5-dichlorophenyl)propan-2-amine
Molecular FormulaC9H11Cl2N
Molecular Weight204.09
XLogP2.6
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
CC(C)(C1=CC(=CC(=C1)Cl)Cl)N
InChI
InChI=1S/C9H11Cl2N/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5H,12H2,1-2H3
InChIKey
AZEJGVWRTXUSHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,5-Dichlorophenyl)propan-2-amine
CAS: 129960-45-8
CID: 11195052
Formula: C9H11Cl2N
MW: 204.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.09
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass203.0268547
Monoisotopic Mass203.0268547
Topological Polar Surface Area26 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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