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(+) -MK 801

CAT: 0013-GTR19277345-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277345-01Size:2 mg
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Description
(+) -MK 801 is a highly pure biochemical reagent that can be used in biochemical experiments and drug synthesis research.
CAS Number
70449-94-4
Purity
99.78% (May vary between batches)
Smiles
CC1 (N2) C3=CC=CC=C3CC2C4=CC=CC=C14CC1 (N2) C3=CC=CC=C3CC2C4=CC=CC=C14
Molecular Formula
C16H15N
Molecular Weight
221.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

10,11-Dihydro-5-methyl-5H-dibenzo(a,d)cyclohepten-5,10-imine
CAS Number70449-94-4
PubChem CID1207
IUPAC Name1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Molecular FormulaC16H15N
Molecular Weight221.30
XLogP2.8
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity313
SMILES
CC12C3=CC=CC=C3CC(N1)C4=CC=CC=C24
InChI
InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3
InChIKey
LBOJYSIDWZQNJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10,11-Dihydro-5-methyl-5H-dibenzo(a,d)cyclohepten-5,10-imine
CAS: 70449-94-4
CID: 1207
Formula: C16H15N
MW: 221.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.30
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass221.120449483
Monoisotopic Mass221.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count17
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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