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6-Chlorogramine

CAT: 0926-FC52350-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FC52350-02Size:1 g
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CAS Number
50517-12-9
Synonyms
6-Chloro-3- (Dimethylaminomethyl) Indole
MDL Number
MFCD01074498
Smiles
CN (C) CC1=CNC2=C1C=CC (=C2) Cl
Molecular Formula
C11H13ClN2
Molecular Weight
208.69 g/mol
Controlled
No

Chemical Information

6-Chlorogramine
CAS Number50517-12-9
PubChem CID245814
IUPAC Name1-(6-chloro-1H-indol-3-yl)-N,N-dimethylmethanamine
Molecular FormulaC11H13ClN2
Molecular Weight208.69
XLogP2.5
Topological Polar Surface Area19
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity196
SMILES
CN(C)CC1=CNC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C11H13ClN2/c1-14(2)7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,7H2,1-2H3
InChIKey
PQOIPGFSMNOWAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chlorogramine
CAS: 50517-12-9
CID: 245814
Formula: C11H13ClN2
MW: 208.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.69
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass208.0767261
Monoisotopic Mass208.0767261
Topological Polar Surface Area19 Ų
Heavy Atom Count14
Formal Charge0
Complexity196
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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