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(S) -7-methoxychroman-4-amine

CAT: 0127-OR1071550-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1071550-01Size:50 mg
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CAS Number
1213341-19-5
MDL Number
MFCD09256156
Purity
95%
Smiles
N[C@H]1CCOC2=C1C=CC(OC)=C2

Chemical Information

(S)-7-Methoxychroman-4-amine
CAS Number1213341-19-5
PubChem CID78960981
IUPAC Name(4S)-7-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)[C@H](CCO2)N
InChI
InChI=1S/C10H13NO2/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6,9H,4-5,11H2,1H3/t9-/m0/s1
InChIKey
RKCMZVXMWWKKAH-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (S)-7-Methoxychroman-4-amine
CAS: 1213341-19-5
CID: 78960981
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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