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3- (3-Methylphenoxy) propylamine

CAT: 0127-OR470094Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
26646-51-5
MDL Number
MFCD08271804
Purity
=95%
Smiles
Cc1cccc(OCCCN)c1

Chemical Information

3-m-Tolyloxy-propylamine
CAS Number26646-51-5
PubChem CID7131594
IUPAC Name3-(3-methylphenoxy)propan-1-amine
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP2.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity116
SMILES
CC1=CC(=CC=C1)OCCCN
InChI
InChI=1S/C10H15NO/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8H,3,6-7,11H2,1H3
InChIKey
KYPNQHWSJGEREB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-m-Tolyloxy-propylamine
CAS: 26646-51-5
CID: 7131594
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity116
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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