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4- (Benzyloxy) -2-methylaniline

CAT: 0127-OR1052443-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052443-01Size:250 mg
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CAS Number
4792-60-3
MDL Number
MFCD08686869
Purity
95%
Smiles
NC1=CC=C(OCC2=CC=CC=C2)C=C1C

Chemical Information

4-(Benzyloxy)-2-methylaniline
CAS Number4792-60-3
PubChem CID16773053
IUPAC Name2-methyl-4-phenylmethoxyaniline
Molecular FormulaC14H15NO
Molecular Weight213.27
XLogP2.7
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity201
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)N
InChI
InChI=1S/C14H15NO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
InChIKey
YMZVPMQBIGSBOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Benzyloxy)-2-methylaniline
CAS: 4792-60-3
CID: 16773053
Formula: C14H15NO
MW: 213.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.27
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass213.115364102
Monoisotopic Mass213.115364102
Topological Polar Surface Area35.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity201
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

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sc-3058862- (Benzyloxy) -5-methylaniline
sc-3401152- (benzyloxy) -4-methylaniline
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sc-2996595- (Benzyloxy) -2-bromo-4-methylaniline
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