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4-Isobutoxyaniline

CAT: 0127-OR1035306-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1035306-01Size:100 mg
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CAS Number
5198-04-9
Purity
97%
Smiles
CC(C)COC1=CC=C(C=C1)N

Chemical Information

4-(2-Methylpropoxy)aniline
CAS Number5198-04-9
PubChem CID5039140
IUPAC Name4-(2-methylpropoxy)aniline
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP2.2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity117
SMILES
CC(C)COC1=CC=C(C=C1)N
InChI
InChI=1S/C10H15NO/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8H,7,11H2,1-2H3
InChIKey
NDHJFACYRWUMHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Methylpropoxy)aniline
CAS: 5198-04-9
CID: 5039140
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity117
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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Alternative Products

CatalogName
sc-3165774-Isobutoxyaniline hydrochloride
MBS58014852-Isobutoxyaniline
sc-329048N- (2-Chlorobenzyl) -4-isobutoxyaniline
sc-3466523-chloro-4-isobutoxyaniline hydrochloride
sc-329013N- (2-Butoxybenzyl) -4-isobutoxyaniline
sc-329621N- (3-Ethoxybenzyl) -4-isobutoxyaniline
sc-330035N- (4-Fluorobenzyl) -2-isobutoxyaniline
sc-330781N-[2- (Hexyloxy) benzyl]-4-isobutoxyaniline
sc-330943N-[4- (Heptyloxy) benzyl]-3-isobutoxyaniline
sc-330893N-[4- (2-Ethoxyethoxy) benzyl]-2-isobutoxyaniline

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