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6-Chlorotryptamine

CAT: 0024-sc-291309ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-291309ASize:1 g
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CAS Number
3670-19-7

Chemical Information

2-(6-Chloro-1H-indol-3-yl)ethanamine
CAS Number3670-19-7
PubChem CID145705
IUPAC Name2-(6-chloro-1H-indol-3-yl)ethanamine
Molecular FormulaC10H11ClN2
Molecular Weight194.66
XLogP2.2
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
C1=CC2=C(C=C1Cl)NC=C2CCN
InChI
InChI=1S/C10H11ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
InChIKey
LFASSSGQIDKFOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-Chloro-1H-indol-3-yl)ethanamine
CAS: 3670-19-7
CID: 145705
Formula: C10H11ClN2
MW: 194.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight194.66
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass194.0610761
Monoisotopic Mass194.0610761
Topological Polar Surface Area41.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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