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Serotonin bimaleate

CAT: 0926-FS66300-02Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FS66300-02Size:1000 mg
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CAS Number
18525-25-2
Synonyms
5-Hydroxytryptamine bimaleate
MDL Number
MFCD00043256
Smiles
NCCc1c[nH]c2ccc (O) cc12.OC (=O) \C=C/C (=O) O
Molecular Formula
C14H16N2O5
Molecular Weight
292.29 g/mol
Controlled
No

Chemical Information

1H-Indol-5-ol, 3-(2-aminoethyl)-, (2Z)-2-butenedioate (1:1)

See also: 3-(2-ammonioethyl)-5-hydroxy-1H-indolium maleate (annotation moved to).

CAS Number18525-25-2
PubChem CID16218591
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;(Z)-but-2-enedioic acid
Molecular FormulaC14H16N2O5
Molecular Weight292.29
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity293
SMILES
C1=CC2=C(C=C1O)C(=CN2)CCN.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C10H12N2O.C4H4O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;5-3(6)1-2-4(7)8/h1-2,5-6,12-13H,3-4,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
LTEXAUVYLLADEB-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indol-5-ol, 3-(2-aminoethyl)-, (2Z)-2-butenedioate (1:1)
CAS: 18525-25-2
CID: 16218591
Formula: C14H16N2O5
MW: 292.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.29
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass292.10592162
Monoisotopic Mass292.10592162
Topological Polar Surface Area137 Ų
Heavy Atom Count21
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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