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1,4-Benzodioxan-6-amine

CAT: 0013-GTR19254172-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254172-01Size:50 mg
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Description
1,4-Benzodioxan-6-amine, with CAS No. 22013-33-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1,4-Benzodioxan-6-amine provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
22013-33-8
Product Name Alternative
1,4Benzodioxan6amine, 1,4 Benzodioxan 6 amine
Purity
98.29% (May vary between batches)
Smiles
Nc1ccc2OCCOc2c1
Molecular Formula
C8H9NO2
Molecular Weight
151.165
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

1,4-Benzodioxan-6-ylamine
CAS Number22013-33-8
PubChem CID89148
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-amine
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP0.8
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1COC2=C(O1)C=CC(=C2)N
InChI
InChI=1S/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2
InChIKey
BZKOZYWGZKRTIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Benzodioxan-6-ylamine
CAS: 22013-33-8
CID: 89148
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area44.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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-2230101,4-Benzodioxan-6-amine
B6860-011,4-BENZODIOXAN-6-CARBOXALDEHYDE
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TD1023-011,4-Benzodioxan
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411239-011,4-Benzodioxan-6-methylamine Hydrochloride
sc-3000566,7-Dimethoxy-1,4-benzodioxan
sc-3040851,4-Benzodioxan-6,7-diol
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