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3-Methoxyiminodibenzyl

CAT: 0572-TRC-M262605-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M262605-10MGSize:10 mg
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CAS Number
26945-63-1
Synonyms
10,11-Dihydro-3-methoxy-5H-dibenz[b,f]azepine; 3-Methoxy-10,11-dihydro-5H-dibenz[b,f]azepine;
Hazard Statement
No Data Available
Smiles
COc1ccc2CCc3ccccc3Nc2c1
Molecular Formula
C15H15NO
Molecular Weight
225.29
Shipping Conditions
Room Temperature

Chemical Information

3-Methoxy-10,11-dihydro-5H-dibenzo[b,f]azepine
CAS Number26945-63-1
PubChem CID10632959
IUPAC Name2-methoxy-6,11-dihydro-5H-benzo[b][1]benzazepine
Molecular FormulaC15H15NO
Molecular Weight225.28
XLogP3.7
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity255
SMILES
COC1=CC2=C(CCC3=CC=CC=C3N2)C=C1
InChI
InChI=1S/C15H15NO/c1-17-13-9-8-12-7-6-11-4-2-3-5-14(11)16-15(12)10-13/h2-5,8-10,16H,6-7H2,1H3
InChIKey
MKGUWTQTKHFOSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-10,11-dihydro-5H-dibenzo[b,f]azepine
CAS: 26945-63-1
CID: 10632959
Formula: C15H15NO
MW: 225.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.28
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass225.115364102
Monoisotopic Mass225.115364102
Topological Polar Surface Area21.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity255
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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