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1,4-Dimethoxybutan-2-amine

CAT: 0926-XHA80356-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XHA80356-01Size:50 mg
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CAS Number
197803-56-8
MDL Number
MFCD16823844
Smiles
COCCC (COC) N
Molecular Formula
C6H15NO2
Molecular Weight
133.19 g/mol
Controlled
No

Chemical Information

1,4-Dimethoxybutan-2-amine
CAS Number197803-56-8
PubChem CID18629275
IUPAC Name1,4-dimethoxybutan-2-amine
Molecular FormulaC6H15NO2
Molecular Weight133.19
XLogP-0.6
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity59
SMILES
COCCC(COC)N
InChI
InChI=1S/C6H15NO2/c1-8-4-3-6(7)5-9-2/h6H,3-5,7H2,1-2H3
InChIKey
GIOFZLWAYGNGDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dimethoxybutan-2-amine
CAS: 197803-56-8
CID: 18629275
Formula: C6H15NO2
MW: 133.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.19
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass133.110278721
Monoisotopic Mass133.110278721
Topological Polar Surface Area44.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity59
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1029355-014,4-Dimethoxybutan-1-Amine
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OR3133-013,3-Dimethoxybutan-2-one
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TRC-T767420-10G1,2,4-Triazol-4-amine
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