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N- (2-Methoxyethyl) aniline

CAT: 0926-HBA38266-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HBA38266-01Size:50 mg
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CAS Number
32382-66-4
MDL Number
MFCD00779216
Smiles
COCCNC1=CC=CC=C1
Molecular Formula
C9H13NO
Molecular Weight
151.21 g/mol
Controlled
No

Chemical Information

N-(2-methoxyethyl)aniline
CAS Number32382-66-4
PubChem CID1581105
IUPAC NameN-(2-methoxyethyl)aniline
Molecular FormulaC9H13NO
Molecular Weight151.21
XLogP1.4
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity89
SMILES
COCCNC1=CC=CC=C1
InChI
InChI=1S/C9H13NO/c1-11-8-7-10-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
XTTMNDFFWSZHCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-methoxyethyl)aniline
CAS: 32382-66-4
CID: 1581105
Formula: C9H13NO
MW: 151.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight151.21
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass151.099714038
Monoisotopic Mass151.099714038
Topological Polar Surface Area21.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity89.6
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