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3- (4-chlorophenyl) propan-1-amine

CAT: 1731-AL BW 0945-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-AL BW 0945-01Size:1 mg
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CAS Number
18655-50-0
MDL Number
MFCD06212968
Purity
0.95
Smiles
NCCCc1ccc (Cl) cc1
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

3-(4-Chlorophenyl)propan-1-amine
CAS Number18655-50-0
PubChem CID6485772
IUPAC Name3-(4-chlorophenyl)propan-1-amine
Molecular FormulaC9H12ClN
Molecular Weight169.65
XLogP2.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
C1=CC(=CC=C1CCCN)Cl
InChI
InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
InChIKey
RVLNDSYSQLMPRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorophenyl)propan-1-amine
CAS: 18655-50-0
CID: 6485772
Formula: C9H12ClN
MW: 169.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.65
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass169.0658271
Monoisotopic Mass169.0658271
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.7
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

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