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6-Methoxychroman-4-amine

CAT: 0127-OR1100253-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1100253-01Size:100 mg
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CAS Number
81816-60-6
MDL Number
MFCD07374070
Purity
98%
Smiles
COC1=CC2=C (C=C1) OCCC2N

Chemical Information

6-Methoxychroman-4-amine
CAS Number81816-60-6
PubChem CID12792148
IUPAC Name6-methoxy-3,4-dihydro-2H-chromen-4-amine
Molecular FormulaC10H13NO2
Molecular Weight179.22
XLogP0.9
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
COC1=CC2=C(C=C1)OCCC2N
InChI
InChI=1S/C10H13NO2/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6,9H,4-5,11H2,1H3
InChIKey
APTWFKUWDZQXHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxychroman-4-amine
CAS: 81816-60-6
CID: 12792148
Formula: C10H13NO2
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass179.094628657
Monoisotopic Mass179.094628657
Topological Polar Surface Area44.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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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