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5-Hydroxytryptamine, free base

CAT: 0926-H-8000-05Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-H-8000-05Size:100 g
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CAS Number
50-67-9
Synonyms
Serotonin base; 3- (2-Aminoethyl) -5-hydroxyindole
MDL Number
MFCD00055054
Smiles
C1=CC2=C (C=C1O) C (=CN2) CCN
Molecular Formula
C10H12N2O
Molecular Weight
176.22 g/mol
Controlled
No

Chemical Information

Serotonin

Serotonin is a primary amino compound that is the 5-hydroxy derivative of tryptamine. It has a role as a neurotransmitter, a mouse metabolite and a human metabolite. It is a monoamine molecular messenger, a member of tryptamines, a member of phenols, a primary amino compound and a member of hydroxyindoles. It is functionally related to a tryptamine. It is a conjugate base of a serotonin(1+).

CAS Number50-67-9
PubChem CID5202
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol
Molecular FormulaC10H12N2O
Molecular Weight176.21
XLogP0.2
Topological Polar Surface Area62
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
C1=CC2=C(C=C1O)C(=CN2)CCN
InChI
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChIKey
QZAYGJVTTNCVMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Serotonin
CAS: 50-67-9
CID: 5202
Formula: C10H12N2O
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass176.094963011
Monoisotopic Mass176.094963011
Topological Polar Surface Area62 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

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