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2,6-Dimethoxybenzylamine

CAT: 0127-OR30097-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR30097-01Size:100 mg
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CAS Number
20781-22-0
Synonyms
(2,6-Dimethoxyphenyl) methylamine
MDL Number
MFCD00052812
Purity
97%
Smiles
COc1cccc(OC)c1CN

Chemical Information

2,6-Dimethoxybenzylamine
CAS Number20781-22-0
PubChem CID2800872
IUPAC Name(2,6-dimethoxyphenyl)methanamine
Molecular FormulaC9H13NO2
Molecular Weight167.20
XLogP1.4
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity118
SMILES
COC1=C(C(=CC=C1)OC)CN
InChI
InChI=1S/C9H13NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,6,10H2,1-2H3
InChIKey
XEKGMBAKVJAVAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethoxybenzylamine
CAS: 20781-22-0
CID: 2800872
Formula: C9H13NO2
MW: 167.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass167.094628657
Monoisotopic Mass167.094628657
Topological Polar Surface Area44.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity118
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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