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5-Methoxy-DL-tryptophan

CAT: 0607-BA7633-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7633-100Size:100 mg
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CAS Number
28052-84-8
Form
A solid
Molecular Formula
C12H14N2O3
Molecular Weight
234.25
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

5-Methoxy-DL-tryptophan

5-Methoxy-DL-tryptophan is a member of tryptamines. It is functionally related to a serotonin.

CAS Number28052-84-8
PubChem CID119802
IUPAC Name2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
Molecular FormulaC12H14N2O3
Molecular Weight234.25
XLogP-0.8
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity285
SMILES
COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N
InChI
InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)
InChIKey
KVNPSKDDJARYKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-DL-tryptophan
CAS: 28052-84-8
CID: 119802
Formula: C12H14N2O3
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass234.10044231
Monoisotopic Mass234.10044231
Topological Polar Surface Area88.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes