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[3- (3-Chlorophenoxy) propyl]amine

CAT: 0024-sc-309693Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-309693Size:500 mg
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CAS Number
116753-50-5

Chemical Information

3-(3-Chlorophenoxy)propylamine
CAS Number116753-50-5
PubChem CID10465025
IUPAC Name3-(3-chlorophenoxy)propan-1-amine
Molecular FormulaC9H12ClNO
Molecular Weight185.65
XLogP2.4
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity121
SMILES
C1=CC(=CC(=C1)Cl)OCCCN
InChI
InChI=1S/C9H12ClNO/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChIKey
KZQPDVZJHZMSKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Chlorophenoxy)propylamine
CAS: 116753-50-5
CID: 10465025
Formula: C9H12ClNO
MW: 185.65
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.65
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass185.0607417
Monoisotopic Mass185.0607417
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity121
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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CatalogName
OR1027142-01[3- (Dimethylamino) Propyl] (Propyl) Amine
5332-73-03-Methoxy propyl amine
TAA65549-01[3- (3-chlorophenyl) propyl]amine
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NHA87841-01[3- (Benzyloxy) propyl] (methyl) amine
HHB27701-01[3- (Dimethylamino) propyl] (diphenylmethyl) amine
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