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4- (Pentyloxy) aniline

CAT: 0127-OR1034385-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1034385-01Size:500 mg
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CAS Number
39905-50-5
Purity
98%
Smiles
CCCCCOC1=CC=C(C=C1)N

Chemical Information

Benzenamine, 4-(pentyloxy)-
CAS Number39905-50-5
PubChem CID94500
IUPAC Name4-pentoxyaniline
Molecular FormulaC11H17NO
Molecular Weight179.26
XLogP3.2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity119
SMILES
CCCCCOC1=CC=C(C=C1)N
InChI
InChI=1S/C11H17NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3
InChIKey
QZLNSNIHXKQIIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 4-(pentyloxy)-
CAS: 39905-50-5
CID: 94500
Formula: C11H17NO
MW: 179.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.26
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass179.131014166
Monoisotopic Mass179.131014166
Topological Polar Surface Area35.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity119
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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