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3- (Methoxymethyl) -2-methylaniline

CAT: 0926-PBA05319-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-PBA05319-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39053-19-5
MDL Number
MFCD12186474
Smiles
CC1=C (C=CC=C1N) COC
Molecular Formula
C9H13NO
Molecular Weight
151.21 g/mol
Controlled
No

Chemical Information

3-(Methoxymethyl)-2-methylaniline
CAS Number39053-19-5
PubChem CID14801184
IUPAC Name3-(methoxymethyl)-2-methylaniline
Molecular FormulaC9H13NO
Molecular Weight151.21
XLogP1.3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
CC1=C(C=CC=C1N)COC
InChI
InChI=1S/C9H13NO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6,10H2,1-2H3
InChIKey
UBPOEWHLSICXAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Methoxymethyl)-2-methylaniline
CAS: 39053-19-5
CID: 14801184
Formula: C9H13NO
MW: 151.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.21
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass151.099714038
Monoisotopic Mass151.099714038
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
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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