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6,7-Dimethoxyisoquinoline

CAT: 0572-TRC-D470543-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D470543-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15248-39-2
Synonyms
Backebergine
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
COC1=C(OC)C=C2C=NC=CC2=C1
Molecular Formula
C11H11NO2
Molecular Weight
189.21
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6,7-Dimethoxyisoquinoline

Backebergine is a member of the class of isoquinolines carrying two methoxy substituents at positions 6 and 7. It has a role as a plant metabolite. It is an isoquinoline alkaloid and a member of isoquinolines.

CAS Number15248-39-2
PubChem CID177578
IUPAC Name6,7-dimethoxyisoquinoline
Molecular FormulaC11H11NO2
Molecular Weight189.21
XLogP2
Topological Polar Surface Area31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity186
SMILES
COC1=C(C=C2C=NC=CC2=C1)OC
InChI
InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3
InChIKey
JAJVYESKUNMYPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dimethoxyisoquinoline
CAS: 15248-39-2
CID: 177578
Formula: C11H11NO2
MW: 189.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.21
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass189.078978594
Monoisotopic Mass189.078978594
Topological Polar Surface Area31.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity186
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

CatalogName
273694-016,7-Dimethoxyisoquinoline
ICA16320-013-Chloro-6,7-dimethoxyisoquinoline
ZMB13974-011-Bromo-6,7-dimethoxyisoquinoline
OR1071286-014-Chloro-6,7-dimethoxyisoquinoline
OR78482-011-chloro-6,7-dimethoxyisoquinoline
FCA08724-015,7-Dimethoxyisoquinoline
OR1068951-011,3-Dichloro-6,7-dimethoxyisoquinoline
OR1071495-011,4-Dichloro-6,7-dimethoxyisoquinoline
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